ChemSpider 2D Image | MFCD00133436 | C42H78NO10P

MFCD00133436

  • Molecular FormulaC42H78NO10P
  • Average mass788.043 Da
  • Monoisotopic mass787.536316 Da
  • ChemSpider ID17347136

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

9-Octadecenoic acid, (1S)-1-[[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (9Z,9'Z)- [ACD/Index Name]
MFCD00133436
O-[{(2S)-2,3-Bis[(9Z)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2S)-2,3-Bis[(9Z)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2S)-2,3-Bis[(9Z)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
6811-55-8 [RN]
70614-14-1 (free acid)

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

P1060_SIGMA [DBID]

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

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