ChemSpider 2D Image | (15R,21S)-18,21,22-Trihydroxy-2-methyl-18-oxido-12-oxo-13,17,19-trioxa-18lambda~5~-phosphadocosan-15-yl 19-methylicosanoate | C40H79O10P

(15R,21S)-18,21,22-Trihydroxy-2-methyl-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphadocosan-15-yl 19-methylicosanoate

  • Molecular FormulaC40H79O10P
  • Average mass751.023 Da
  • Monoisotopic mass750.541077 Da
  • ChemSpider ID74878399

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(15R,21S)-18,21,22-Trihydroxy-2-methyl-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphadocosan-15-yl 19-methylicosanoate [ACD/IUPAC Name]
(15R,21S)-18,21,22-Trihydroxy-2-methyl-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphadocosan-15-yl-19-methylicosanoat [German] [ACD/IUPAC Name]
19-Méthylicosanoate de (15R,21S)-18,21,22-trihydroxy-2-méthyl-12-oxo-18-oxydo-13,17,19-trioxa-18λ5-phosphadocosan-15-yle [French] [ACD/IUPAC Name]
Eicosanoic acid, 19-methyl-, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(11-methyl-1-oxododecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-2,3-dihydroxypropoxy((2R)-3-[(11-methyldodecanoyl)oxy]-2-[(19-methylicosanoyl)oxy]propoxy)phosphinic acid
[(2S)-2,3-dihydroxypropoxy][(2R)-3-[(11-methyldodecanoyl)oxy]-2-[(19-methylicosanoyl)oxy]propoxy]phosphinic acid
PG(i-13:0/i-21:0)

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): 7.47
ACD/BCF (pH 5.5): 42129.25
ACD/KOC (pH 5.5): 7552.49
ACD/LogD (pH 7.4): 7.40
ACD/BCF (pH 7.4): 35630.29
ACD/KOC (pH 7.4): 6387.43
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

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