ChemSpider 2D Image | O-{[(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serine | C43H82NO9P

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

  • Molecular FormulaC43H82NO9P
  • Average mass788.086 Da
  • Monoisotopic mass787.572693 Da
  • ChemSpider ID113376616

  • 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

9,12-Heptadecadienoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[(eicosyloxy)methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
O-{[(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{[(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serine [ACD/IUPAC Name]
O-{[(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
1-eicosyl-2-(9Z,12Z-heptadecadienoyl)-glycero-3-phosphoserine
PS(O-20:0/17:2(9Z,12Z))
PS(O-20:0/17:2)
PS(O-37:2)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 813.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±6.0 kJ/mol
Flash Point: 445.5±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: 16.13
ACD/LogD (pH 5.5): 9.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 75492.11
ACD/LogD (pH 7.4): 9.27
ACD/BCF (pH 7.4): 883887.19
ACD/KOC (pH 7.4): 59332.48
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

Click to predict properties on the Chemicalize site


Advertisement