ChemSpider 2D Image | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphate | C37H71O8P


  • Molecular FormulaC37H71O8P
  • Average mass674.929 Da
  • Monoisotopic mass674.488647 Da
  • ChemSpider ID4446637
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(2R)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (2R)-1-(palmitoyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (1R)-2-[(1-oxohexadecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (9Z)- [ACD/Index Name]
(1R)-1-[[(1-oxohexadecyl)oxy]methyl]-2-(phosphonooxy)-9Z-octadecenoic acid ethyl ester
(2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate
(2R)-1-(palmitoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate
(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxyphosphonic acid
[(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy]phosphonic acid

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AI3-28789 [DBID]
LMGP10010032 [DBID]
  • Miscellaneous
    • Chemical Class:

      A 1,2-diacyl-<ital>sn</ital>-glycerol 3-phosphate in which the 1- and 2-acyl groups are palmitoyl and oleoyl respectively. ChEBI CHEBI:64844

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 725.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.3±6.0 kJ/mol
Flash Point: 392.4±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 188.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 14.22
ACD/LogD (pH 5.5): 9.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 82231.39
ACD/LogD (pH 7.4): 8.40
ACD/BCF (pH 7.4): 132002.05
ACD/KOC (pH 7.4): 9675.36
Polar Surface Area: 129 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 665.8±3.0 cm3

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