ChemSpider 2D Image | O-[{(2R)-2-[(9Z)-9-Heptadecenoyloxy]-3-[(1Z)-1-icosen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C43H82NO9P

O-[{(2R)-2-[(9Z)-9-Heptadecenoyloxy]-3-[(1Z)-1-icosen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC43H82NO9P
  • Average mass788.086 Da
  • Monoisotopic mass787.572693 Da
  • ChemSpider ID113376722

  • 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-Heptadecenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[(1Z)-1-eicosen-1-yloxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
O-[{(2R)-2-[(9Z)-9-Heptadecenoyloxy]-3-[(1Z)-1-icosen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-2-[(9Z)-9-Heptadecenoyloxy]-3-[(1Z)-1-icosen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-2-[(9Z)-9-Heptadecenoyloxy]-3-[(1Z)-1-icosén-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
1-(1Z-eicosenyl)-2-(9Z-heptadecenoyl)-glycero-3-phosphoserine
PS(P-20:0/17:1(9Z))
PS(P-20:0/17:1)
PS(P-37:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 815.4±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: 446.9±37.1 °C
Index of Refraction: 1.489
Molar Refractivity: 221.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 16.72
ACD/LogD (pH 5.5): 10.14
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 197344.98
ACD/LogD (pH 7.4): 10.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 155032.77
Polar Surface Area: 164 Å2
Polarizability: 87.9±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 768.8±3.0 cm3

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