ChemSpider 2D Image | (2S)-2-[(9Z)-9-Hexadecenoyloxy]-3-{[(R)-hydroxy(2-hydroxyethoxy)phosphoryl]oxy}propyl (9Z)-9-octadecenoate | C39H73O9P

(2S)-2-[(9Z)-9-Hexadecenoyloxy]-3-{[(R)-hydroxy(2-hydroxyethoxy)phosphoryl]oxy}propyl (9Z)-9-octadecenoate

  • Molecular FormulaC39H73O9P
  • Average mass716.965 Da
  • Monoisotopic mass716.499207 Da
  • ChemSpider ID26354086

  • 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

(2S)-2-[(9Z)-9-Hexadecenoyloxy]-3-{[(R)-hydroxy(2-hydroxyethoxy)phosphoryl]oxy}propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(2S)-2-[(9Z)-9-Hexadecenoyloxy]-3-{[(R)-hydroxy(2-hydroxyethoxy)phosphoryl]oxy}propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (2S)-2-[(9Z)-9-hexadecenoyloxy]-3-{[(R)-hydroxy(2-hydroxyéthoxy)phosphoryl]oxy}propyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (2S)-3-[[(R)-hydroxy(2-hydroxyethoxy)phosphinyl]oxy]-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester, (9Z)- [ACD/Index Name]
PEth
PHOSPHATIDYL ETHANOL

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

Density: 1.0±0.1 g/cm3
Boiling Point: 745.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.0±6.0 kJ/mol
Flash Point: 404.6±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 199.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 13.68
ACD/LogD (pH 5.5): 10.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 253910.27
ACD/LogD (pH 7.4): 10.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 207907.72
Polar Surface Area: 138 Å2
Polarizability: 79.2±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 698.8±3.0 cm3

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