ChemSpider 2D Image | (2R)-1-[(13-Methyltetradecanoyl)oxy]-3-(phosphonooxy)-2-propanyl (5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oate | C38H65O10P

(2R)-1-[(13-Methyltetradecanoyl)oxy]-3-(phosphonooxy)-2-propanyl (5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oate

  • Molecular FormulaC38H65O10P
  • Average mass712.891 Da
  • Monoisotopic mass712.431519 Da
  • ChemSpider ID128427266

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-1-[(13-Methyltetradecanoyl)oxy]-3-(phosphonooxy)-2-propanyl (5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oate [ACD/IUPAC Name]
(2R)-1-[(13-Methyltetradecanoyl)oxy]-3-(phosphonooxy)-2-propanyl-(5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oat [German] [ACD/IUPAC Name]
(5Z,13E,15S)-15-Hydroxy-11-oxoprosta-5,9,13-trién-1-oate de (2R)-1-[(13-méthyltetradecanoyl)oxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
Prosta-5,9,13-trien-1-oic acid, 15-hydroxy-11-oxo-, (1R)-2-[(13-methyl-1-oxotetradecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (5Z,13E,15S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 787.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.6±6.0 kJ/mol
Flash Point: 430.2±35.7 °C
Index of Refraction: 1.520
Molar Refractivity: 194.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 3
ACD/LogP: 9.24
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 200.16
ACD/KOC (pH 5.5): 170.53
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 23.55
ACD/KOC (pH 7.4): 20.07
Polar Surface Area: 166 Å2
Polarizability: 77.0±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 638.9±3.0 cm3

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