ChemSpider 2D Image | (16R,22S)-19,22,23-Trihydroxy-2-methyl-19-oxido-13-oxo-14,18,20-trioxa-19lambda~5~-phosphatricosan-16-yl 14-methylpentadecanoate | C36H71O10P

(16R,22S)-19,22,23-Trihydroxy-2-methyl-19-oxido-13-oxo-14,18,20-trioxa-19λ5-phosphatricosan-16-yl 14-methylpentadecanoate

  • Molecular FormulaC36H71O10P
  • Average mass694.917 Da
  • Monoisotopic mass694.478455 Da
  • ChemSpider ID74878409

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(16R,22S)-19,22,23-Trihydroxy-2-methyl-19-oxido-13-oxo-14,18,20-trioxa-19λ5-phosphatricosan-16-yl 14-methylpentadecanoate [ACD/IUPAC Name]
(16R,22S)-19,22,23-Trihydroxy-2-methyl-19-oxido-13-oxo-14,18,20-trioxa-19λ5-phosphatricosan-16-yl-14-methylpentadecanoat [German] [ACD/IUPAC Name]
14-Méthylpentadécanoate de (16R,22S)-19,22,23-trihydroxy-2-méthyl-13-oxo-19-oxydo-14,18,20-trioxa-19λ5-phosphatricosan-16-yle [French] [ACD/IUPAC Name]
Pentadecanoic acid, 14-methyl-, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(12-methyl-1-oxotridecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-2,3-dihydroxypropoxy((2R)-2-[(14-methylpentadecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propoxy)phosphinic acid
[(2S)-2,3-dihydroxypropoxy][(2R)-2-[(14-methylpentadecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propoxy]phosphinic acid
PG(i-14:0/i-16:0)

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: 1.1±0.1 g/cm3
Boiling Point: 737.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 399.9±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 187.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: 11.60
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 2986.19
ACD/KOC (pH 5.5): 1135.83
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 2525.53
ACD/KOC (pH 7.4): 960.62
Polar Surface Area: 159 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 660.6±3.0 cm3

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