ChemSpider 2D Image | O-[{(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C39H72NO9P

O-[{(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC39H72NO9P
  • Average mass729.964 Da
  • Monoisotopic mass729.494446 Da
  • ChemSpider ID113376669

  • 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-[[(1Z)-1-hexadecen-1-yloxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
O-[{(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-2-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-3-[(1Z)-1-hexadécén-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
1-(1Z-hexadecenyl)-2-(9Z,12Z-heptadecadienoyl)-glycero-3-phosphoserine
PS(P-16:0/17:2(9Z,12Z))
PS(P-16:0/17:2)
PS(P-33:2)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 781.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 123.6±6.0 kJ/mol
Flash Point: 426.4±35.7 °C
Index of Refraction: 1.496
Molar Refractivity: 203.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 14.07
ACD/LogD (pH 5.5): 7.50
ACD/BCF (pH 5.5): 42780.66
ACD/KOC (pH 5.5): 7271.96
ACD/LogD (pH 7.4): 7.40
ACD/BCF (pH 7.4): 33608.17
ACD/KOC (pH 7.4): 5712.80
Polar Surface Area: 164 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 696.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement