ChemSpider 2D Image | (17R,23S)-20,23,24-Trihydroxy-2-methyl-20-oxido-14-oxo-15,19,21-trioxa-20lambda~5~-phosphatetracosan-17-yl 12-methyltetradecanoate | C36H71O10P

(17R,23S)-20,23,24-Trihydroxy-2-methyl-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatetracosan-17-yl 12-methyltetradecanoate

  • Molecular FormulaC36H71O10P
  • Average mass694.917 Da
  • Monoisotopic mass694.478455 Da
  • ChemSpider ID113377628

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(17R,23S)-20,23,24-Trihydroxy-2-methyl-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatetracosan-17-yl 12-methyltetradecanoate [ACD/IUPAC Name]
(17R,23S)-20,23,24-Trihydroxy-2-methyl-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatetracosan-17-yl-12-methyltetradecanoat [German] [ACD/IUPAC Name]
12-Méthyltétradécanoate de (17R,23S)-20,23,24-trihydroxy-2-méthyl-14-oxo-20-oxydo-15,19,21-trioxa-20λ5-phosphatétracosan-17-yle [French] [ACD/IUPAC Name]
Tetradecanoic acid, 12-methyl-, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(13-methyl-1-oxotetradecyl)oxy]methyl]ethyl ester [ACD/Index Name]
1-(13-methyl-tetradecanoyl)-2-(12-methyl-tetradecanoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
PG(14:0(13Me)/14:0(12Me))
PG(15:0/15:0)

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): 6.02
ACD/BCF (pH 5.5): 3341.03
ACD/KOC (pH 5.5): 1230.89
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 2825.63
ACD/KOC (pH 7.4): 1041.01
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

Click to predict properties on the Chemicalize site


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