ChemSpider 2D Image | (17R)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20lambda~5~-phosphatricosan-17-yl (9Z)-9-hexadecenoate | C35H68NO8P

(17R)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatricosan-17-yl (9Z)-9-hexadecenoate

  • Molecular FormulaC35H68NO8P
  • Average mass661.890 Da
  • Monoisotopic mass661.468262 Da
  • ChemSpider ID24768330

  • 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

(17R)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatricosan-17-yl (9Z)-9-hexadecenoate [ACD/IUPAC Name]
(17R)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatricosan-17-yl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Hexadécénoate de (17R)-23-amino-20-hydroxy-14-oxo-20-oxydo-15,19,21-trioxa-20λ5-phosphatricosan-17-yle [French] [ACD/IUPAC Name]
9-Hexadecenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(hexadec-9-enoyloxy)-3-(tetradecanoyloxy)propoxy]phosphinic acid
(2-AMINOETHOXY)[(2R)-2-[(9Z)-HEXADEC-9-ENOYLOXY]-3-(TETRADECANOYLOXY)PROPOXY]PHOSPHINIC ACID
(3-Phosphatidyl)ethanolamine
(3-Phosphatidyl)-ethanolamine
1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
1-Acyl-2-acyl-sn-glycero-3-phosphoethanolamine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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): 8.17
ACD/BCF (pH 5.5): 239126.80
ACD/KOC (pH 5.5): 47938.83
ACD/LogD (pH 7.4): 8.08
ACD/BCF (pH 7.4): 192648.75
ACD/KOC (pH 7.4): 38621.16
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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