ChemSpider 2D Image | (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE | C35H68NO8P

(1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE

  • Molecular FormulaC35H68NO8P
  • Average mass661.890 Da
  • Monoisotopic mass661.468262 Da
  • ChemSpider ID7826869

  • 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

(15R,18S)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphahenicosan-15-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(15R,18S)-21-Amino-18-hydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphahenicosan-15-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE
(9Z)-9-Octadécénoate de (15R,18S)-21-amino-18-hydroxy-12-oxo-18-oxydo-13,17,19-trioxa-18λ5-phosphahénicosan-15-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (1R)-2-[[(S)-(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxododecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
1-dodecanoyl-2-(9Z-octadecenoyl)-glycero-3-phosphoethanolamine
LAURYL OLEYL PHOSPHATIDYL ETHANOLAMINE
LOP
PE(12:0/18:1(9Z))
PE(12:0_18:1)
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 704.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 112.3±6.0 kJ/mol
Flash Point: 379.8±35.7 °C
Index of Refraction: 1.480
Molar Refractivity: 183.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 12.12
ACD/LogD (pH 5.5): 8.40
ACD/BCF (pH 5.5): 359140.56
ACD/KOC (pH 5.5): 64138.94
ACD/LogD (pH 7.4): 8.31
ACD/BCF (pH 7.4): 289335.97
ACD/KOC (pH 7.4): 51672.53
Polar Surface Area: 144 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 645.3±3.0 cm3

Click to predict properties on the Chemicalize site


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