ChemSpider 2D Image | (12Z,15Z,18Z,21Z,24Z,27Z)-4-Hydroxy-N,N,N-trimethyl-9-oxo-7-[(pentadecanoyloxy)methyl]-3,5,8-trioxa-4-phosphatriaconta-12,15,18,21,24,27-hexaen-1-aminium 4-oxide | C45H79NO8P

(12Z,15Z,18Z,21Z,24Z,27Z)-4-Hydroxy-N,N,N-trimethyl-9-oxo-7-[(pentadecanoyloxy)methyl]-3,5,8-trioxa-4-phosphatriaconta-12,15,18,21,24,27-hexaen-1-aminium 4-oxide

  • Molecular FormulaC45H79NO8P
  • Average mass793.084 Da
  • Monoisotopic mass792.553772 Da
  • ChemSpider ID17600025

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(12Z,15Z,18Z,21Z,24Z,27Z) 4-Oxyde de 4-hydroxy-N,N,N-triméthyl-9-oxo-7-[(pentadecanoyloxy)méthyl]-3,5,8-trioxa-4-phosphatriaconta-12,15,18,21,24,27-hexaén-1-aminium [French] [ACD/IUPAC Name]
(12Z,15Z,18Z,21Z,24Z,27Z)-4-Hydroxy-N,N,N-trimethyl-9-oxo-7-[(pentadecanoyloxy)methyl]-3,5,8-trioxa-4-phosphatriaconta-12,15,18,21,24,27-hexaen-1-aminium 4-oxide [ACD/IUPAC Name]
(12Z,15Z,18Z,21Z,24Z,27Z)-4-Hydroxy-N,N,N-trimethyl-9-oxo-7-[(pentadecanoyloxy)methyl]-3,5,8-trioxa-4-phosphatriaconta-12,15,18,21,24,27-hexaen-1-aminium-4-oxid [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]-3-[(1-oxopentadecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 9.97
ACD/LogD (pH 5.5): 8.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1739955.38
ACD/LogD (pH 7.4): 8.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1740014.63
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

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