ChemSpider 2D Image | (7R)-4-Hydroxy-N,N,N-trimethyl-9-oxo-7-[(tridecanoyloxy)methyl]-3,5,8-trioxa-4-phosphapentacosan-1-aminium 4-oxide | C38H77NO8P

(7R)-4-Hydroxy-N,N,N-trimethyl-9-oxo-7-[(tridecanoyloxy)methyl]-3,5,8-trioxa-4-phosphapentacosan-1-aminium 4-oxide

  • Molecular FormulaC38H77NO8P
  • Average mass706.993 Da
  • Monoisotopic mass706.538147 Da
  • ChemSpider ID4472491

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7R) 4-Oxyde de 4-hydroxy-N,N,N-triméthyl-9-oxo-7-[(tridecanoyloxy)méthyl]-3,5,8-trioxa-4-phosphapentacosan-1-aminium [French] [ACD/IUPAC Name]
(7R)-4-Hydroxy-N,N,N-trimethyl-9-oxo-7-[(tridecanoyloxy)methyl]-3,5,8-trioxa-4-phosphapentacosan-1-aminium 4-oxide [ACD/IUPAC Name]
(7R)-4-Hydroxy-N,N,N-trimethyl-9-oxo-7-[(tridecanoyloxy)methyl]-3,5,8-trioxa-4-phosphapentacosan-1-aminium-4-oxid [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-[(1-oxoheptadecyl)oxy]-3-[(1-oxotridecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl- [ACD/Index Name]
1-tridecanoyl-2-heptadecanoyl-sn-glycero-3-phosphocholine
3,5,8-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxotridecyl)oxy]methyl]-, inner salt, 4-oxide, (R)-
GPCho(13:0/17:0)

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

LMGP01010461 [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: 38
#Rule of 5 Violations: 2
ACD/LogP: 9.81
ACD/LogD (pH 5.5): 8.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2506702.00
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2506787.25
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

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