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

(2R)-1-(Pentadecanoyloxy)-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 ID128426492

  • 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-(Pentadecanoyloxy)-3-(phosphonooxy)-2-propanyl (5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oate [ACD/IUPAC Name]
(2R)-1-(Pentadecanoyloxy)-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-(pentadecanoyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
Prosta-5,9,13-trien-1-oic acid, 15-hydroxy-11-oxo-, (1R)-2-[(1-oxopentadecyl)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: 791.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.1±6.0 kJ/mol
Flash Point: 432.2±35.7 °C
Index of Refraction: 1.521
Molar Refractivity: 194.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 3
ACD/LogP: 9.42
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 835.79
ACD/KOC (pH 5.5): 474.35
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 98.35
ACD/KOC (pH 7.4): 55.82
Polar Surface Area: 166 Å2
Polarizability: 77.0±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 638.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement