ChemSpider 2D Image | (17R,20S)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20lambda~5~-phosphatricosan-17-yl heptadecanoate | C36H72NO8P

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

  • Molecular FormulaC36H72NO8P
  • Average mass677.932 Da
  • Monoisotopic mass677.499573 Da
  • ChemSpider ID394431

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(17R,20S)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatricosan-17-yl heptadecanoate [ACD/IUPAC Name]
(17R,20S)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatricosan-17-yl-heptadecanoat [German] [ACD/IUPAC Name]
Heptadécanoate de (17R,20S)-23-amino-20-hydroxy-14-oxo-20-oxydo-15,19,21-trioxa-20λ5-phosphatricosan-17-yle [French] [ACD/IUPAC Name]
Heptadecanoic acid, (1R)-2-[[(S)-(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester [ACD/Index Name]
1-tetradecanoyl-2-heptadecanoyl-glycero-3-phosphoethanolamine
DI-STEAROYL-3-SN-PHOSPHATIDYLETHANOLAMINE
PE(14:0/17:0)
PE(14:0_17:0)
PE(31:0)
PEH
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 714.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 113.7±6.0 kJ/mol
Flash Point: 385.8±35.7 °C
Index of Refraction: 1.474
Molar Refractivity: 187.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 13.17
ACD/LogD (pH 5.5): 9.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 213008.20
ACD/LogD (pH 7.4): 9.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 171606.89
Polar Surface Area: 144 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 668.2±3.0 cm3

Click to predict properties on the Chemicalize site


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