ChemSpider 2D Image | O-[{(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-[(9Z)-9-nonadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C42H76NO10P

O-[{(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-[(9Z)-9-nonadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC42H76NO10P
  • Average mass786.027 Da
  • Monoisotopic mass785.520691 Da
  • ChemSpider ID113376355

  • 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-Nonadecenoic acid, (2R)-3-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-2-[[(9Z,12Z)-1-oxo-9,12-heptadecadien-1-yl]oxy]propyl ester, (9Z)- [ACD/Index Name]
O-[{(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-[(9Z)-9-nonadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-[(9Z)-9-nonadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-[(9Z)-9-nonadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
1-(9Z-nonadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-glycero-3-phosphoserine
PS(17:2_19:1)
PS(19:1(9Z)/17:2(9Z,12Z))
PS(36:3)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 815.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.8±6.0 kJ/mol
Flash Point: 447.2±37.1 °C
Index of Refraction: 1.497
Molar Refractivity: 217.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 14.58
ACD/LogD (pH 5.5): 8.16
ACD/BCF (pH 5.5): 134733.36
ACD/KOC (pH 5.5): 16529.94
ACD/LogD (pH 7.4): 8.05
ACD/BCF (pH 7.4): 105582.98
ACD/KOC (pH 7.4): 12953.59
Polar Surface Area: 181 Å2
Polarizability: 86.1±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 743.1±3.0 cm3

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