ChemSpider 2D Image | O-[{(2R)-2-(Docosanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C42H80NO10P

O-[{(2R)-2-(Docosanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC42H80NO10P
  • Average mass790.059 Da
  • Monoisotopic mass789.552002 Da
  • ChemSpider ID74875725

  • 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

Docosanoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
O-[{(2R)-2-(Docosanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-2-(Docosanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-2-(Docosanoyloxy)-3-[(9Z)-9-tetradecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({[(2R)-2-(docosanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-2-(docosanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid
1-(9Z-tetradecenoyl)-2-docosanoyl-glycero-3-phosphoserine
PS(14:1(9Z)/22:0)
PS(14:1_22:0)
PS(36:1)

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 816.1±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: 447.4±37.1 °C
Index of Refraction: 1.486
Molar Refractivity: 217.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 15.61
ACD/LogD (pH 5.5): 8.85
ACD/BCF (pH 5.5): 451721.25
ACD/KOC (pH 5.5): 39295.58
ACD/LogD (pH 7.4): 8.74
ACD/BCF (pH 7.4): 353989.00
ACD/KOC (pH 7.4): 30793.78
Polar Surface Area: 181 Å2
Polarizability: 86.1±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 755.8±3.0 cm3

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