ChemSpider 2D Image | O-[{(2R)-2-[(13Z)-13-Docosenoyloxy]-3-[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C44H82NO10P

O-[{(2R)-2-[(13Z)-13-Docosenoyloxy]-3-[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC44H82NO10P
  • Average mass816.096 Da
  • Monoisotopic mass815.567627 Da
  • ChemSpider ID74875809

  • 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

13-Docosenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
O-[{(2R)-2-[(13Z)-13-Docosenoyloxy]-3-[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-2-[(13Z)-13-Docosenoyloxy]-3-[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-2-[(13Z)-13-Docosenoyloxy]-3-[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid
PS(16:1(9Z)/22:1(13Z))

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: 832.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 131.4±6.0 kJ/mol
Flash Point: 457.2±37.1 °C
Index of Refraction: 1.491
Molar Refractivity: 226.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 16.16
ACD/LogD (pH 5.5): 8.70
ACD/BCF (pH 5.5): 346667.16
ACD/KOC (pH 5.5): 32513.05
ACD/LogD (pH 7.4): 8.59
ACD/BCF (pH 7.4): 271663.91
ACD/KOC (pH 7.4): 25478.69
Polar Surface Area: 181 Å2
Polarizability: 89.8±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 782.5±3.0 cm3

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