ChemSpider 2D Image | (17R)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20lambda~5~-phosphatricosan-17-yl (6E,8E,11E)-5-hydroxy-6,8,11-icosatrienoate | C39H72NO9P

(17R)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatricosan-17-yl (6E,8E,11E)-5-hydroxy-6,8,11-icosatrienoate

  • Molecular FormulaC39H72NO9P
  • Average mass729.964 Da
  • Monoisotopic mass729.494446 Da
  • ChemSpider ID117217134

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 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 (6E,8E,11E)-5-hydroxy-6,8,11-icosatrienoate [ACD/IUPAC Name]
(17R)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatricosan-17-yl-(6E,8E,11E)-5-hydroxy-6,8,11-icosatrienoat [German] [ACD/IUPAC Name]
(6E,8E,11E)-5-Hydroxy-6,8,11-icosatriénoate de (17R)-23-amino-20-hydroxy-14-oxo-20-oxydo-15,19,21-trioxa-20λ5-phosphatricosan-17-yle [French] [ACD/IUPAC Name]
6,8,11-Eicosatrienoic acid, 5-hydroxy-, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester, (6E,8E,11E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 771.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 420.6±35.7 °C
Index of Refraction: 1.496
Molar Refractivity: 203.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 11.73
ACD/LogD (pH 5.5): 7.93
ACD/BCF (pH 5.5): 157798.36
ACD/KOC (pH 5.5): 35601.51
ACD/LogD (pH 7.4): 7.84
ACD/BCF (pH 7.4): 127120.37
ACD/KOC (pH 7.4): 28680.13
Polar Surface Area: 164 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 696.4±3.0 cm3

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