ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl (5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oate | C43H76NO10P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl (5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oate

  • Molecular FormulaC43H76NO10P
  • Average mass798.038 Da
  • Monoisotopic mass797.520691 Da
  • ChemSpider ID128426138

  • 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)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl (5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl-(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)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
Prosta-5,9,13-trien-1-oic acid, 15-hydroxy-11-oxo-, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxooctadecyl)oxy]propyl 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: 828.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.0±6.0 kJ/mol
Flash Point: 454.9±37.1 °C
Index of Refraction: 1.515
Molar Refractivity: 221.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 11.05
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 54276.10
ACD/KOC (pH 5.5): 16584.60
ACD/LogD (pH 7.4): 7.23
ACD/BCF (pH 7.4): 43725.97
ACD/KOC (pH 7.4): 13360.91
Polar Surface Area: 181 Å2
Polarizability: 87.7±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 733.6±3.0 cm3

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