ChemSpider 2D Image | (14R,20S)-17,20,21-Trihydroxy-2-methyl-17-oxido-11-oxo-12,16,18-trioxa-17lambda~5~-phosphahenicosan-14-yl 20-methylhenicosanoate | C40H79O10P

(14R,20S)-17,20,21-Trihydroxy-2-methyl-17-oxido-11-oxo-12,16,18-trioxa-17λ5-phosphahenicosan-14-yl 20-methylhenicosanoate

  • Molecular FormulaC40H79O10P
  • Average mass751.023 Da
  • Monoisotopic mass750.541077 Da
  • ChemSpider ID74878382

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(14R,20S)-17,20,21-Trihydroxy-2-methyl-17-oxido-11-oxo-12,16,18-trioxa-17λ5-phosphahenicosan-14-yl 20-methylhenicosanoate [ACD/IUPAC Name]
(14R,20S)-17,20,21-Trihydroxy-2-methyl-17-oxido-11-oxo-12,16,18-trioxa-17λ5-phosphahenicosan-14-yl-20-methylhenicosanoat [German] [ACD/IUPAC Name]
20-Méthylhénicosanoate de (14R,20S)-17,20,21-trihydroxy-2-méthyl-11-oxo-17-oxydo-12,16,18-trioxa-17λ5-phosphahénicosan-14-yle [French] [ACD/IUPAC Name]
Heneicosanoic acid, 20-methyl-, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(10-methyl-1-oxoundecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-2,3-dihydroxypropoxy((2R)-2-[(20-methylhenicosanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxy)phosphinic acid
[(2S)-2,3-dihydroxypropoxy][(2R)-2-[(20-methylhenicosanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxy]phosphinic acid
PG(i-12:0/i-22:0)

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: 773.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.3±6.0 kJ/mol
Flash Point: 421.5±35.7 °C
Index of Refraction: 1.478
Molar Refractivity: 205.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 13.72
ACD/LogD (pH 5.5): 7.48
ACD/BCF (pH 5.5): 42943.16
ACD/KOC (pH 5.5): 7656.66
ACD/LogD (pH 7.4): 7.41
ACD/BCF (pH 7.4): 36318.64
ACD/KOC (pH 7.4): 6475.53
Polar Surface Area: 159 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 726.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement