ChemSpider 2D Image | (7R)-7-{[(9Z)-9-Hexadecenoyloxy]methyl}-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphaoctacosan-1-aminium 4-oxide | C44H87NO8P

(7R)-7-{[(9Z)-9-Hexadecenoyloxy]methyl}-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphaoctacosan-1-aminium 4-oxide

  • Molecular FormulaC44H87NO8P
  • Average mass789.137 Da
  • Monoisotopic mass788.616394 Da
  • ChemSpider ID4472712

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7R) 4-Oxyde de 7-{[(9Z)-9-hexadecenoyloxy]méthyl}-4-hydroxy-N,N,N-triméthyl-9-oxo-3,5,8-trioxa-4-phosphaoctacosan-1-aminium [French] [ACD/IUPAC Name]
(7R)-7-{[(9Z)-9-Hexadecenoyloxy]methyl}-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphaoctacosan-1-aminium 4-oxide [ACD/IUPAC Name]
(7R)-7-{[(9Z)-9-Hexadecenoyloxy]methyl}-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphaoctacosan-1-aminium-4-oxid [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-[(1-oxoeicosyl)oxy]-3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl- [ACD/Index Name]
1-(9Z-hexadecenoyl)-sn-glycero-3-phosphocholine
3,5,8-Trioxa-4-phosphaoctacosa-13,16,19,22-tetraen-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxo-9-hexadecenyl)oxy]methyl]-, inner salt, 4-oxide, [R-(all-Z)]-
GPCho(16:1(9Z)/20;45Z,8Z,11Z,14Z)

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

LMGP01010695 [DBID]

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: 43
#Rule of 5 Violations: 2
ACD/LogP: 12.48
ACD/LogD (pH 5.5): 11.06
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

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