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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 22:47:38 UTC
Update Date2021-09-26 22:54:22 UTC
HMDB IDHMDB0245739
Secondary Accession NumbersNone
Metabolite Identification
Common NamePolihexanide
DescriptionPolihexanide, also known as vantocil or PHMB polymer, belongs to the class of organic compounds known as biguanides. These are organic compounds containing two N-linked guanidines. Based on a literature review very few articles have been published on Polihexanide. This compound has been identified in human blood as reported by (PMID: 31557052 ). Polihexanide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Polihexanide is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
Synonyms
ValueSource
VantocilHMDB
PolyhexamethylenbiguanidHMDB
Polyhexamethylene biguanide hydrochlorideHMDB
PolyhexanideHMDB
PolyhexamethylenbiguanideHMDB
PHMB PolymerHMDB
Polihexanide hydrochlorideHMDB
Poly(hexamethylene biguanide)HMDB
LavaseptHMDB
Vantocil ib OF vantocilHMDB
Poly(hexamethylenebiguanide) hydrochlorideHMDB
Poly(iminocarbonimidoyliminocarbonimidoylimino-1,6-hexanediyl) hydrochlorideHMDB
Polyhexamethylen-biguanideHMDB
Polyhexamethylene biguanideHMDB
BaquacilHMDB
CosmocilHMDB
PolihexanideMeSH
Chemical FormulaC8H19N5
Average Molecular Weight185.275
Monoisotopic Molecular Weight185.164045632
IUPAC Name1-carbamimidamido-N-hexylmethanimidamide
Traditional Name1-carbamimidamido-N-hexylmethanimidamide
CAS Registry NumberNot Available
SMILES
CCCCCCNC(=N)NC(N)=N
InChI Identifier
InChI=1S/C8H19N5/c1-2-3-4-5-6-12-8(11)13-7(9)10/h2-6H2,1H3,(H6,9,10,11,12,13)
InChI KeyVAZJLPXFVQHDFB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as biguanides. These are organic compounds containing two N-linked guanidines.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassGuanidines
Direct ParentBiguanides
Alternative Parents
Substituents
  • Biguanide
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Imine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.36ALOGPS
logP1.03ChemAxon
logS-2.8ALOGPS
pKa (Strongest Basic)11.97ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area97.78 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity74.42 m³·mol⁻¹ChemAxon
Polarizability21.8 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+151.07530932474
DeepCCS[M-H]-147.27330932474
DeepCCS[M-2H]-185.16730932474
DeepCCS[M+Na]+160.50830932474
AllCCS[M+H]+145.132859911
AllCCS[M+H-H2O]+141.432859911
AllCCS[M+NH4]+148.532859911
AllCCS[M+Na]+149.532859911
AllCCS[M-H]-145.632859911
AllCCS[M+Na-2H]-147.132859911
AllCCS[M+HCOO]-148.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PolihexanideCCCCCCNC(=N)NC(N)=N3162.2Standard polar33892256
PolihexanideCCCCCCNC(=N)NC(N)=N1646.9Standard non polar33892256
PolihexanideCCCCCCNC(=N)NC(N)=N2033.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Polihexanide,1TMS,isomer #1CCCCCCNC(=N)NC(=N)N[Si](C)(C)C2343.7Semi standard non polar33892256
Polihexanide,1TMS,isomer #1CCCCCCNC(=N)NC(=N)N[Si](C)(C)C1913.9Standard non polar33892256
Polihexanide,1TMS,isomer #1CCCCCCNC(=N)NC(=N)N[Si](C)(C)C4067.6Standard polar33892256
Polihexanide,1TMS,isomer #2CCCCCCN(C(=N)NC(=N)N)[Si](C)(C)C2228.9Semi standard non polar33892256
Polihexanide,1TMS,isomer #2CCCCCCN(C(=N)NC(=N)N)[Si](C)(C)C1882.9Standard non polar33892256
Polihexanide,1TMS,isomer #2CCCCCCN(C(=N)NC(=N)N)[Si](C)(C)C3958.7Standard polar33892256
Polihexanide,1TMS,isomer #3CCCCCCNC(=N[Si](C)(C)C)NC(=N)N2205.8Semi standard non polar33892256
Polihexanide,1TMS,isomer #3CCCCCCNC(=N[Si](C)(C)C)NC(=N)N1795.3Standard non polar33892256
Polihexanide,1TMS,isomer #3CCCCCCNC(=N[Si](C)(C)C)NC(=N)N3856.4Standard polar33892256
Polihexanide,1TMS,isomer #4CCCCCCNC(=N)N(C(=N)N)[Si](C)(C)C2209.9Semi standard non polar33892256
Polihexanide,1TMS,isomer #4CCCCCCNC(=N)N(C(=N)N)[Si](C)(C)C1908.6Standard non polar33892256
Polihexanide,1TMS,isomer #4CCCCCCNC(=N)N(C(=N)N)[Si](C)(C)C3631.4Standard polar33892256
Polihexanide,1TMS,isomer #5CCCCCCNC(=N)NC(N)=N[Si](C)(C)C2204.0Semi standard non polar33892256
Polihexanide,1TMS,isomer #5CCCCCCNC(=N)NC(N)=N[Si](C)(C)C1874.2Standard non polar33892256
Polihexanide,1TMS,isomer #5CCCCCCNC(=N)NC(N)=N[Si](C)(C)C3694.7Standard polar33892256
Polihexanide,2TMS,isomer #1CCCCCCN(C(=N)NC(=N)N[Si](C)(C)C)[Si](C)(C)C2335.2Semi standard non polar33892256
Polihexanide,2TMS,isomer #1CCCCCCN(C(=N)NC(=N)N[Si](C)(C)C)[Si](C)(C)C2061.0Standard non polar33892256
Polihexanide,2TMS,isomer #1CCCCCCN(C(=N)NC(=N)N[Si](C)(C)C)[Si](C)(C)C3664.6Standard polar33892256
Polihexanide,2TMS,isomer #10CCCCCCNC(=N[Si](C)(C)C)NC(N)=N[Si](C)(C)C2135.0Semi standard non polar33892256
Polihexanide,2TMS,isomer #10CCCCCCNC(=N[Si](C)(C)C)NC(N)=N[Si](C)(C)C1771.7Standard non polar33892256
Polihexanide,2TMS,isomer #10CCCCCCNC(=N[Si](C)(C)C)NC(N)=N[Si](C)(C)C3635.1Standard polar33892256
Polihexanide,2TMS,isomer #11CCCCCCNC(=N)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C2176.8Semi standard non polar33892256
Polihexanide,2TMS,isomer #11CCCCCCNC(=N)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C1967.9Standard non polar33892256
Polihexanide,2TMS,isomer #11CCCCCCNC(=N)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C3440.4Standard polar33892256
Polihexanide,2TMS,isomer #2CCCCCCNC(=N[Si](C)(C)C)NC(=N)N[Si](C)(C)C2253.0Semi standard non polar33892256
Polihexanide,2TMS,isomer #2CCCCCCNC(=N[Si](C)(C)C)NC(=N)N[Si](C)(C)C1964.9Standard non polar33892256
Polihexanide,2TMS,isomer #2CCCCCCNC(=N[Si](C)(C)C)NC(=N)N[Si](C)(C)C3735.3Standard polar33892256
Polihexanide,2TMS,isomer #3CCCCCCNC(=N)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C2311.9Semi standard non polar33892256
Polihexanide,2TMS,isomer #3CCCCCCNC(=N)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C2055.6Standard non polar33892256
Polihexanide,2TMS,isomer #3CCCCCCNC(=N)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C3457.8Standard polar33892256
Polihexanide,2TMS,isomer #4CCCCCCNC(=N)NC(=N[Si](C)(C)C)N[Si](C)(C)C2293.8Semi standard non polar33892256
Polihexanide,2TMS,isomer #4CCCCCCNC(=N)NC(=N[Si](C)(C)C)N[Si](C)(C)C1885.5Standard non polar33892256
Polihexanide,2TMS,isomer #4CCCCCCNC(=N)NC(=N[Si](C)(C)C)N[Si](C)(C)C3752.0Standard polar33892256
Polihexanide,2TMS,isomer #5CCCCCCNC(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C2388.2Semi standard non polar33892256
Polihexanide,2TMS,isomer #5CCCCCCNC(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C2056.5Standard non polar33892256
Polihexanide,2TMS,isomer #5CCCCCCNC(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C3681.3Standard polar33892256
Polihexanide,2TMS,isomer #6CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N)[Si](C)(C)C2161.1Semi standard non polar33892256
Polihexanide,2TMS,isomer #6CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N)[Si](C)(C)C1850.2Standard non polar33892256
Polihexanide,2TMS,isomer #6CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N)[Si](C)(C)C3746.1Standard polar33892256
Polihexanide,2TMS,isomer #7CCCCCCN(C(=N)N(C(=N)N)[Si](C)(C)C)[Si](C)(C)C2180.7Semi standard non polar33892256
Polihexanide,2TMS,isomer #7CCCCCCN(C(=N)N(C(=N)N)[Si](C)(C)C)[Si](C)(C)C2055.1Standard non polar33892256
Polihexanide,2TMS,isomer #7CCCCCCN(C(=N)N(C(=N)N)[Si](C)(C)C)[Si](C)(C)C3535.7Standard polar33892256
Polihexanide,2TMS,isomer #8CCCCCCN(C(=N)NC(N)=N[Si](C)(C)C)[Si](C)(C)C2144.1Semi standard non polar33892256
Polihexanide,2TMS,isomer #8CCCCCCN(C(=N)NC(N)=N[Si](C)(C)C)[Si](C)(C)C1991.1Standard non polar33892256
Polihexanide,2TMS,isomer #8CCCCCCN(C(=N)NC(N)=N[Si](C)(C)C)[Si](C)(C)C3618.9Standard polar33892256
Polihexanide,2TMS,isomer #9CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C2132.4Semi standard non polar33892256
Polihexanide,2TMS,isomer #9CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C1918.3Standard non polar33892256
Polihexanide,2TMS,isomer #9CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C3481.3Standard polar33892256
Polihexanide,3TMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N[Si](C)(C)C)[Si](C)(C)C2262.9Semi standard non polar33892256
Polihexanide,3TMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N[Si](C)(C)C)[Si](C)(C)C1966.9Standard non polar33892256
Polihexanide,3TMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N[Si](C)(C)C)[Si](C)(C)C3379.8Standard polar33892256
Polihexanide,3TMS,isomer #10CCCCCCNC(=N)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2326.8Semi standard non polar33892256
Polihexanide,3TMS,isomer #10CCCCCCNC(=N)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1958.7Standard non polar33892256
Polihexanide,3TMS,isomer #10CCCCCCNC(=N)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3350.8Standard polar33892256
Polihexanide,3TMS,isomer #11CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C)[Si](C)(C)C2124.1Semi standard non polar33892256
Polihexanide,3TMS,isomer #11CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C)[Si](C)(C)C1962.7Standard non polar33892256
Polihexanide,3TMS,isomer #11CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N)[Si](C)(C)C)[Si](C)(C)C3306.3Standard polar33892256
Polihexanide,3TMS,isomer #12CCCCCCN(C(=N[Si](C)(C)C)NC(N)=N[Si](C)(C)C)[Si](C)(C)C2111.9Semi standard non polar33892256
Polihexanide,3TMS,isomer #12CCCCCCN(C(=N[Si](C)(C)C)NC(N)=N[Si](C)(C)C)[Si](C)(C)C1758.4Standard non polar33892256
Polihexanide,3TMS,isomer #12CCCCCCN(C(=N[Si](C)(C)C)NC(N)=N[Si](C)(C)C)[Si](C)(C)C3513.2Standard polar33892256
Polihexanide,3TMS,isomer #13CCCCCCN(C(=N)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2139.4Semi standard non polar33892256
Polihexanide,3TMS,isomer #13CCCCCCN(C(=N)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2060.7Standard non polar33892256
Polihexanide,3TMS,isomer #13CCCCCCN(C(=N)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3355.2Standard polar33892256
Polihexanide,3TMS,isomer #14CCCCCCNC(=N[Si](C)(C)C)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C2123.3Semi standard non polar33892256
Polihexanide,3TMS,isomer #14CCCCCCNC(=N[Si](C)(C)C)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C1757.4Standard non polar33892256
Polihexanide,3TMS,isomer #14CCCCCCNC(=N[Si](C)(C)C)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C3344.9Standard polar33892256
Polihexanide,3TMS,isomer #2CCCCCCN(C(=N)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2238.6Semi standard non polar33892256
Polihexanide,3TMS,isomer #2CCCCCCN(C(=N)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2176.1Standard non polar33892256
Polihexanide,3TMS,isomer #2CCCCCCN(C(=N)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3131.4Standard polar33892256
Polihexanide,3TMS,isomer #3CCCCCCN(C(=N)NC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2231.2Semi standard non polar33892256
Polihexanide,3TMS,isomer #3CCCCCCN(C(=N)NC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C1980.8Standard non polar33892256
Polihexanide,3TMS,isomer #3CCCCCCN(C(=N)NC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C3400.2Standard polar33892256
Polihexanide,3TMS,isomer #4CCCCCCN(C(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2345.6Semi standard non polar33892256
Polihexanide,3TMS,isomer #4CCCCCCN(C(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2213.7Standard non polar33892256
Polihexanide,3TMS,isomer #4CCCCCCN(C(=N)NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3264.1Standard polar33892256
Polihexanide,3TMS,isomer #5CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C2218.2Semi standard non polar33892256
Polihexanide,3TMS,isomer #5CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C2015.2Standard non polar33892256
Polihexanide,3TMS,isomer #5CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C3207.6Standard polar33892256
Polihexanide,3TMS,isomer #6CCCCCCNC(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C2176.5Semi standard non polar33892256
Polihexanide,3TMS,isomer #6CCCCCCNC(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C1780.9Standard non polar33892256
Polihexanide,3TMS,isomer #6CCCCCCNC(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C3519.8Standard polar33892256
Polihexanide,3TMS,isomer #7CCCCCCNC(=N[Si](C)(C)C)NC(=N)N([Si](C)(C)C)[Si](C)(C)C2245.9Semi standard non polar33892256
Polihexanide,3TMS,isomer #7CCCCCCNC(=N[Si](C)(C)C)NC(=N)N([Si](C)(C)C)[Si](C)(C)C2051.7Standard non polar33892256
Polihexanide,3TMS,isomer #7CCCCCCNC(=N[Si](C)(C)C)NC(=N)N([Si](C)(C)C)[Si](C)(C)C3403.1Standard polar33892256
Polihexanide,3TMS,isomer #8CCCCCCNC(=N)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2244.1Semi standard non polar33892256
Polihexanide,3TMS,isomer #8CCCCCCNC(=N)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C1998.4Standard non polar33892256
Polihexanide,3TMS,isomer #8CCCCCCNC(=N)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C3167.0Standard polar33892256
Polihexanide,3TMS,isomer #9CCCCCCNC(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2312.0Semi standard non polar33892256
Polihexanide,3TMS,isomer #9CCCCCCNC(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2199.0Standard non polar33892256
Polihexanide,3TMS,isomer #9CCCCCCNC(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3134.6Standard polar33892256
Polihexanide,4TMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2220.7Semi standard non polar33892256
Polihexanide,4TMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2077.1Standard non polar33892256
Polihexanide,4TMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2901.2Standard polar33892256
Polihexanide,4TMS,isomer #10CCCCCCNC(=N)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2277.2Semi standard non polar33892256
Polihexanide,4TMS,isomer #10CCCCCCNC(=N)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2120.7Standard non polar33892256
Polihexanide,4TMS,isomer #10CCCCCCNC(=N)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2845.4Standard polar33892256
Polihexanide,4TMS,isomer #11CCCCCCN(C(=N[Si](C)(C)C)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2133.4Semi standard non polar33892256
Polihexanide,4TMS,isomer #11CCCCCCN(C(=N[Si](C)(C)C)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1830.5Standard non polar33892256
Polihexanide,4TMS,isomer #11CCCCCCN(C(=N[Si](C)(C)C)N(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3221.1Standard polar33892256
Polihexanide,4TMS,isomer #2CCCCCCN(C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2203.8Semi standard non polar33892256
Polihexanide,4TMS,isomer #2CCCCCCN(C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C1803.7Standard non polar33892256
Polihexanide,4TMS,isomer #2CCCCCCN(C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C3233.5Standard polar33892256
Polihexanide,4TMS,isomer #3CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2280.1Semi standard non polar33892256
Polihexanide,4TMS,isomer #3CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2067.4Standard non polar33892256
Polihexanide,4TMS,isomer #3CCCCCCN(C(=N[Si](C)(C)C)NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3120.7Standard polar33892256
Polihexanide,4TMS,isomer #4CCCCCCN(C(=N)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2215.3Semi standard non polar33892256
Polihexanide,4TMS,isomer #4CCCCCCN(C(=N)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2083.8Standard non polar33892256
Polihexanide,4TMS,isomer #4CCCCCCN(C(=N)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2913.5Standard polar33892256
Polihexanide,4TMS,isomer #5CCCCCCN(C(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2283.1Semi standard non polar33892256
Polihexanide,4TMS,isomer #5CCCCCCN(C(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2310.2Standard non polar33892256
Polihexanide,4TMS,isomer #5CCCCCCN(C(=N)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2925.7Standard polar33892256
Polihexanide,4TMS,isomer #6CCCCCCN(C(=N)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2298.1Semi standard non polar33892256
Polihexanide,4TMS,isomer #6CCCCCCN(C(=N)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2054.5Standard non polar33892256
Polihexanide,4TMS,isomer #6CCCCCCN(C(=N)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3079.6Standard polar33892256
Polihexanide,4TMS,isomer #7CCCCCCNC(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2188.6Semi standard non polar33892256
Polihexanide,4TMS,isomer #7CCCCCCNC(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C1810.4Standard non polar33892256
Polihexanide,4TMS,isomer #7CCCCCCNC(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2987.1Standard polar33892256
Polihexanide,4TMS,isomer #8CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2220.7Semi standard non polar33892256
Polihexanide,4TMS,isomer #8CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2141.9Standard non polar33892256
Polihexanide,4TMS,isomer #8CCCCCCNC(=N[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2983.7Standard polar33892256
Polihexanide,4TMS,isomer #9CCCCCCNC(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2223.5Semi standard non polar33892256
Polihexanide,4TMS,isomer #9CCCCCCNC(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1814.9Standard non polar33892256
Polihexanide,4TMS,isomer #9CCCCCCNC(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3221.6Standard polar33892256
Polihexanide,5TMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2208.2Semi standard non polar33892256
Polihexanide,5TMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1895.2Standard non polar33892256
Polihexanide,5TMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2651.0Standard polar33892256
Polihexanide,5TMS,isomer #2CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2297.9Semi standard non polar33892256
Polihexanide,5TMS,isomer #2CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2214.6Standard non polar33892256
Polihexanide,5TMS,isomer #2CCCCCCN(C(=N[Si](C)(C)C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2664.1Standard polar33892256
Polihexanide,5TMS,isomer #3CCCCCCN(C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2280.6Semi standard non polar33892256
Polihexanide,5TMS,isomer #3CCCCCCN(C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1877.1Standard non polar33892256
Polihexanide,5TMS,isomer #3CCCCCCN(C(=N[Si](C)(C)C)NC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2942.6Standard polar33892256
Polihexanide,5TMS,isomer #4CCCCCCN(C(=N)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2323.6Semi standard non polar33892256
Polihexanide,5TMS,isomer #4CCCCCCN(C(=N)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2204.7Standard non polar33892256
Polihexanide,5TMS,isomer #4CCCCCCN(C(=N)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2605.9Standard polar33892256
Polihexanide,5TMS,isomer #5CCCCCCNC(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2241.7Semi standard non polar33892256
Polihexanide,5TMS,isomer #5CCCCCCNC(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1899.6Standard non polar33892256
Polihexanide,5TMS,isomer #5CCCCCCNC(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2666.0Standard polar33892256
Polihexanide,6TMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2330.5Semi standard non polar33892256
Polihexanide,6TMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2064.9Standard non polar33892256
Polihexanide,6TMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C)N(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2340.4Standard polar33892256
Polihexanide,1TBDMS,isomer #1CCCCCCNC(=N)NC(=N)N[Si](C)(C)C(C)(C)C2550.6Semi standard non polar33892256
Polihexanide,1TBDMS,isomer #1CCCCCCNC(=N)NC(=N)N[Si](C)(C)C(C)(C)C2085.4Standard non polar33892256
Polihexanide,1TBDMS,isomer #1CCCCCCNC(=N)NC(=N)N[Si](C)(C)C(C)(C)C3938.5Standard polar33892256
Polihexanide,1TBDMS,isomer #2CCCCCCN(C(=N)NC(=N)N)[Si](C)(C)C(C)(C)C2368.1Semi standard non polar33892256
Polihexanide,1TBDMS,isomer #2CCCCCCN(C(=N)NC(=N)N)[Si](C)(C)C(C)(C)C2066.5Standard non polar33892256
Polihexanide,1TBDMS,isomer #2CCCCCCN(C(=N)NC(=N)N)[Si](C)(C)C(C)(C)C3963.1Standard polar33892256
Polihexanide,1TBDMS,isomer #3CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N2402.7Semi standard non polar33892256
Polihexanide,1TBDMS,isomer #3CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N1943.1Standard non polar33892256
Polihexanide,1TBDMS,isomer #3CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N3872.8Standard polar33892256
Polihexanide,1TBDMS,isomer #4CCCCCCNC(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C2417.9Semi standard non polar33892256
Polihexanide,1TBDMS,isomer #4CCCCCCNC(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C2118.6Standard non polar33892256
Polihexanide,1TBDMS,isomer #4CCCCCCNC(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C3621.5Standard polar33892256
Polihexanide,1TBDMS,isomer #5CCCCCCNC(=N)NC(N)=N[Si](C)(C)C(C)(C)C2413.6Semi standard non polar33892256
Polihexanide,1TBDMS,isomer #5CCCCCCNC(=N)NC(N)=N[Si](C)(C)C(C)(C)C2032.9Standard non polar33892256
Polihexanide,1TBDMS,isomer #5CCCCCCNC(=N)NC(N)=N[Si](C)(C)C(C)(C)C3741.3Standard polar33892256
Polihexanide,2TBDMS,isomer #1CCCCCCN(C(=N)NC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2732.9Semi standard non polar33892256
Polihexanide,2TBDMS,isomer #1CCCCCCN(C(=N)NC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2451.1Standard non polar33892256
Polihexanide,2TBDMS,isomer #1CCCCCCN(C(=N)NC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3483.8Standard polar33892256
Polihexanide,2TBDMS,isomer #10CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(N)=N[Si](C)(C)C(C)(C)C2550.1Semi standard non polar33892256
Polihexanide,2TBDMS,isomer #10CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(N)=N[Si](C)(C)C(C)(C)C2097.0Standard non polar33892256
Polihexanide,2TBDMS,isomer #10CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(N)=N[Si](C)(C)C(C)(C)C3602.2Standard polar33892256
Polihexanide,2TBDMS,isomer #11CCCCCCNC(=N)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2575.6Semi standard non polar33892256
Polihexanide,2TBDMS,isomer #11CCCCCCNC(=N)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2333.2Standard non polar33892256
Polihexanide,2TBDMS,isomer #11CCCCCCNC(=N)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3437.1Standard polar33892256
Polihexanide,2TBDMS,isomer #2CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N[Si](C)(C)C(C)(C)C2707.6Semi standard non polar33892256
Polihexanide,2TBDMS,isomer #2CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N[Si](C)(C)C(C)(C)C2318.7Standard non polar33892256
Polihexanide,2TBDMS,isomer #2CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N[Si](C)(C)C(C)(C)C3509.8Standard polar33892256
Polihexanide,2TBDMS,isomer #3CCCCCCNC(=N)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2707.9Semi standard non polar33892256
Polihexanide,2TBDMS,isomer #3CCCCCCNC(=N)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2466.1Standard non polar33892256
Polihexanide,2TBDMS,isomer #3CCCCCCNC(=N)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3330.2Standard polar33892256
Polihexanide,2TBDMS,isomer #4CCCCCCNC(=N)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2719.6Semi standard non polar33892256
Polihexanide,2TBDMS,isomer #4CCCCCCNC(=N)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2230.8Standard non polar33892256
Polihexanide,2TBDMS,isomer #4CCCCCCNC(=N)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3540.9Standard polar33892256
Polihexanide,2TBDMS,isomer #5CCCCCCNC(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2728.9Semi standard non polar33892256
Polihexanide,2TBDMS,isomer #5CCCCCCNC(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2433.1Standard non polar33892256
Polihexanide,2TBDMS,isomer #5CCCCCCNC(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3584.7Standard polar33892256
Polihexanide,2TBDMS,isomer #6CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N)[Si](C)(C)C(C)(C)C2544.0Semi standard non polar33892256
Polihexanide,2TBDMS,isomer #6CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N)[Si](C)(C)C(C)(C)C2182.3Standard non polar33892256
Polihexanide,2TBDMS,isomer #6CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N)[Si](C)(C)C(C)(C)C3679.0Standard polar33892256
Polihexanide,2TBDMS,isomer #7CCCCCCN(C(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2564.4Semi standard non polar33892256
Polihexanide,2TBDMS,isomer #7CCCCCCN(C(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2471.4Standard non polar33892256
Polihexanide,2TBDMS,isomer #7CCCCCCN(C(=N)N(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3487.2Standard polar33892256
Polihexanide,2TBDMS,isomer #8CCCCCCN(C(=N)NC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2575.2Semi standard non polar33892256
Polihexanide,2TBDMS,isomer #8CCCCCCN(C(=N)NC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2361.6Standard non polar33892256
Polihexanide,2TBDMS,isomer #8CCCCCCN(C(=N)NC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3600.0Standard polar33892256
Polihexanide,2TBDMS,isomer #9CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C2534.6Semi standard non polar33892256
Polihexanide,2TBDMS,isomer #9CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C2259.9Standard non polar33892256
Polihexanide,2TBDMS,isomer #9CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C3452.9Standard polar33892256
Polihexanide,3TBDMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2875.4Semi standard non polar33892256
Polihexanide,3TBDMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2471.1Standard non polar33892256
Polihexanide,3TBDMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3335.1Standard polar33892256
Polihexanide,3TBDMS,isomer #10CCCCCCNC(=N)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2874.3Semi standard non polar33892256
Polihexanide,3TBDMS,isomer #10CCCCCCNC(=N)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2496.0Standard non polar33892256
Polihexanide,3TBDMS,isomer #10CCCCCCNC(=N)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3329.5Standard polar33892256
Polihexanide,3TBDMS,isomer #11CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2737.1Semi standard non polar33892256
Polihexanide,3TBDMS,isomer #11CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2499.3Standard non polar33892256
Polihexanide,3TBDMS,isomer #11CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3384.4Standard polar33892256
Polihexanide,3TBDMS,isomer #12CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2717.9Semi standard non polar33892256
Polihexanide,3TBDMS,isomer #12CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2214.0Standard non polar33892256
Polihexanide,3TBDMS,isomer #12CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3563.4Standard polar33892256
Polihexanide,3TBDMS,isomer #13CCCCCCN(C(=N)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2752.4Semi standard non polar33892256
Polihexanide,3TBDMS,isomer #13CCCCCCN(C(=N)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2619.9Standard non polar33892256
Polihexanide,3TBDMS,isomer #13CCCCCCN(C(=N)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3440.0Standard polar33892256
Polihexanide,3TBDMS,isomer #14CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2680.7Semi standard non polar33892256
Polihexanide,3TBDMS,isomer #14CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2238.5Standard non polar33892256
Polihexanide,3TBDMS,isomer #14CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3427.6Standard polar33892256
Polihexanide,3TBDMS,isomer #2CCCCCCN(C(=N)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2853.5Semi standard non polar33892256
Polihexanide,3TBDMS,isomer #2CCCCCCN(C(=N)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2774.8Standard non polar33892256
Polihexanide,3TBDMS,isomer #2CCCCCCN(C(=N)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3192.7Standard polar33892256
Polihexanide,3TBDMS,isomer #3CCCCCCN(C(=N)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2868.0Semi standard non polar33892256
Polihexanide,3TBDMS,isomer #3CCCCCCN(C(=N)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2512.1Standard non polar33892256
Polihexanide,3TBDMS,isomer #3CCCCCCN(C(=N)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3331.2Standard polar33892256
Polihexanide,3TBDMS,isomer #4CCCCCCN(C(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2903.2Semi standard non polar33892256
Polihexanide,3TBDMS,isomer #4CCCCCCN(C(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2778.4Standard non polar33892256
Polihexanide,3TBDMS,isomer #4CCCCCCN(C(=N)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3303.3Standard polar33892256
Polihexanide,3TBDMS,isomer #5CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2798.6Semi standard non polar33892256
Polihexanide,3TBDMS,isomer #5CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2526.5Standard non polar33892256
Polihexanide,3TBDMS,isomer #5CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3207.4Standard polar33892256
Polihexanide,3TBDMS,isomer #6CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2821.3Semi standard non polar33892256
Polihexanide,3TBDMS,isomer #6CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2231.9Standard non polar33892256
Polihexanide,3TBDMS,isomer #6CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3377.1Standard polar33892256
Polihexanide,3TBDMS,isomer #7CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2847.3Semi standard non polar33892256
Polihexanide,3TBDMS,isomer #7CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2635.0Standard non polar33892256
Polihexanide,3TBDMS,isomer #7CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3356.8Standard polar33892256
Polihexanide,3TBDMS,isomer #8CCCCCCNC(=N)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2809.2Semi standard non polar33892256
Polihexanide,3TBDMS,isomer #8CCCCCCNC(=N)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2500.1Standard non polar33892256
Polihexanide,3TBDMS,isomer #8CCCCCCNC(=N)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3169.7Standard polar33892256
Polihexanide,3TBDMS,isomer #9CCCCCCNC(=N)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2847.8Semi standard non polar33892256
Polihexanide,3TBDMS,isomer #9CCCCCCNC(=N)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2749.7Standard non polar33892256
Polihexanide,3TBDMS,isomer #9CCCCCCNC(=N)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3192.1Standard polar33892256
Polihexanide,4TBDMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3034.4Semi standard non polar33892256
Polihexanide,4TBDMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2755.3Standard non polar33892256
Polihexanide,4TBDMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3046.7Standard polar33892256
Polihexanide,4TBDMS,isomer #10CCCCCCNC(=N)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3032.0Semi standard non polar33892256
Polihexanide,4TBDMS,isomer #10CCCCCCNC(=N)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2797.8Standard non polar33892256
Polihexanide,4TBDMS,isomer #10CCCCCCNC(=N)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2998.8Standard polar33892256
Polihexanide,4TBDMS,isomer #11CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2935.7Semi standard non polar33892256
Polihexanide,4TBDMS,isomer #11CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2517.0Standard non polar33892256
Polihexanide,4TBDMS,isomer #11CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3379.6Standard polar33892256
Polihexanide,4TBDMS,isomer #2CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2992.3Semi standard non polar33892256
Polihexanide,4TBDMS,isomer #2CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2404.1Standard non polar33892256
Polihexanide,4TBDMS,isomer #2CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3228.8Standard polar33892256
Polihexanide,4TBDMS,isomer #3CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3080.1Semi standard non polar33892256
Polihexanide,4TBDMS,isomer #3CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2764.5Standard non polar33892256
Polihexanide,4TBDMS,isomer #3CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3197.0Standard polar33892256
Polihexanide,4TBDMS,isomer #4CCCCCCN(C(=N)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3004.3Semi standard non polar33892256
Polihexanide,4TBDMS,isomer #4CCCCCCN(C(=N)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2753.2Standard non polar33892256
Polihexanide,4TBDMS,isomer #4CCCCCCN(C(=N)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3070.3Standard polar33892256
Polihexanide,4TBDMS,isomer #5CCCCCCN(C(=N)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3046.9Semi standard non polar33892256
Polihexanide,4TBDMS,isomer #5CCCCCCN(C(=N)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3047.5Standard non polar33892256
Polihexanide,4TBDMS,isomer #5CCCCCCN(C(=N)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3090.6Standard polar33892256
Polihexanide,4TBDMS,isomer #6CCCCCCN(C(=N)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3082.6Semi standard non polar33892256
Polihexanide,4TBDMS,isomer #6CCCCCCN(C(=N)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2744.9Standard non polar33892256
Polihexanide,4TBDMS,isomer #6CCCCCCN(C(=N)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3161.0Standard polar33892256
Polihexanide,4TBDMS,isomer #7CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2903.5Semi standard non polar33892256
Polihexanide,4TBDMS,isomer #7CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2421.6Standard non polar33892256
Polihexanide,4TBDMS,isomer #7CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3073.1Standard polar33892256
Polihexanide,4TBDMS,isomer #8CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2993.4Semi standard non polar33892256
Polihexanide,4TBDMS,isomer #8CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2813.8Standard non polar33892256
Polihexanide,4TBDMS,isomer #8CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3092.1Standard polar33892256
Polihexanide,4TBDMS,isomer #9CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2988.5Semi standard non polar33892256
Polihexanide,4TBDMS,isomer #9CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2493.8Standard non polar33892256
Polihexanide,4TBDMS,isomer #9CCCCCCNC(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3210.6Standard polar33892256
Polihexanide,5TBDMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3159.1Semi standard non polar33892256
Polihexanide,5TBDMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2721.7Standard non polar33892256
Polihexanide,5TBDMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2970.6Standard polar33892256
Polihexanide,5TBDMS,isomer #2CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3250.6Semi standard non polar33892256
Polihexanide,5TBDMS,isomer #2CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3054.0Standard non polar33892256
Polihexanide,5TBDMS,isomer #2CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2957.6Standard polar33892256
Polihexanide,5TBDMS,isomer #3CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3233.0Semi standard non polar33892256
Polihexanide,5TBDMS,isomer #3CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2723.5Standard non polar33892256
Polihexanide,5TBDMS,isomer #3CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3121.4Standard polar33892256
Polihexanide,5TBDMS,isomer #4CCCCCCN(C(=N)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3259.7Semi standard non polar33892256
Polihexanide,5TBDMS,isomer #4CCCCCCN(C(=N)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3064.3Standard non polar33892256
Polihexanide,5TBDMS,isomer #4CCCCCCN(C(=N)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2942.2Standard polar33892256
Polihexanide,5TBDMS,isomer #5CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3182.5Semi standard non polar33892256
Polihexanide,5TBDMS,isomer #5CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2790.3Standard non polar33892256
Polihexanide,5TBDMS,isomer #5CCCCCCNC(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2948.5Standard polar33892256
Polihexanide,6TBDMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3451.0Semi standard non polar33892256
Polihexanide,6TBDMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3098.8Standard non polar33892256
Polihexanide,6TBDMS,isomer #1CCCCCCN(C(=N[Si](C)(C)C(C)(C)C)N(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2855.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Polihexanide GC-MS (Non-derivatized) - 70eV, Positivesplash10-01ox-9400000000-22cf378e1504489a89582021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Polihexanide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Polihexanide 10V, Positive-QTOFsplash10-000i-2900000000-b5a9ee8393c2fbcf0bfb2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Polihexanide 20V, Positive-QTOFsplash10-03du-9700000000-73cf841565ebfe9788422019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Polihexanide 40V, Positive-QTOFsplash10-03dl-9000000000-87fd6406578119e29d8b2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Polihexanide 10V, Negative-QTOFsplash10-0006-1900000000-7ab2ff8b7d06d8b850842019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Polihexanide 20V, Negative-QTOFsplash10-0udl-3900000000-79b89919f5970ab876ca2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Polihexanide 40V, Negative-QTOFsplash10-0pbc-9200000000-a7ff6b6339b57d482aeb2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Polihexanide 10V, Positive-QTOFsplash10-000i-1900000000-ff5e587239537cb7cb4b2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Polihexanide 20V, Positive-QTOFsplash10-0ikl-9400000000-24e38871ac608da8d7932021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Polihexanide 40V, Positive-QTOFsplash10-0006-9100000000-88b3580353ff388cca692021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Polihexanide 10V, Negative-QTOFsplash10-001i-1900000000-55bbd60cc5d08c85663d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Polihexanide 20V, Negative-QTOFsplash10-0006-9000000000-9ba8292224790e538ce62021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Polihexanide 40V, Negative-QTOFsplash10-0006-9000000000-ae0a02c8cb271b36ef022021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID19733
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPolyhexanide
METLIN IDNot Available
PubChem Compound20977
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]