ChemSpider 2D Image | O-[{2,3-Bis[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]serine | C42H78NO10P

O-[{2,3-Bis[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]serine

  • Molecular FormulaC42H78NO10P
  • Average mass788.043 Da
  • Monoisotopic mass787.536316 Da
  • ChemSpider ID4715587

  • Double-bond stereo - Double-bond stereo

More details:

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

9-Octadecenoic acid, 1-[[[(2-amino-2-carboxyethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (9E,9'E)- [ACD/Index Name]
O-[{2,3-Bis[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]serin [German] [ACD/IUPAC Name]
O-[{2,3-Bis[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]serine [ACD/IUPAC Name]
O-[{2,3-Bis[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
(2S)-2-amino-3-[[(2S)-2,3-di(octadec-9-enoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid
2-AMINO-3-{[2,3-BIS(OCTADEC-9-ENOYLOXY)PROPOXY(HYDROXY)PHOSPHORYL]OXY}PROPANOIC ACID
6811-55-8 [RN]
70614-14-1 [RN]

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

Dops [DBID] [Trade name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 815.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.9±6.0 kJ/mol
Flash Point: 447.2±37.1 °C
Index of Refraction: 1.491
Molar Refractivity: 217.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 15.09
ACD/LogD (pH 5.5): 8.71
ACD/BCF (pH 5.5): 356065.88
ACD/KOC (pH 5.5): 33141.63
ACD/LogD (pH 7.4): 8.61
ACD/BCF (pH 7.4): 279028.88
ACD/KOC (pH 7.4): 25971.23
Polar Surface Area: 181 Å2
Polarizability: 86.1±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 749.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement