ChemSpider 2D Image | 2-[(4-Phenylbutanoyl)oxy]ethyl (11alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oate | C32H48O7

2-[(4-Phenylbutanoyl)oxy]ethyl (11α,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oate

  • Molecular FormulaC32H48O7
  • Average mass544.719 Da
  • Monoisotopic mass544.340027 Da
  • ChemSpider ID8183163

  • 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

(11α,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-én-1-oate de 2-[(4-phénylbutanoyl)oxy]éthyle [French] [ACD/IUPAC Name]
2-[(4-Phenylbutanoyl)oxy]ethyl (11α,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oate [ACD/IUPAC Name]
2-[(4-Phenylbutanoyl)oxy]ethyl-(11α,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oat [German] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, 2-(1-oxo-4-phenylbutoxy)ethyl ester, (11α,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: 665.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 204.0±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 153.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6180.89
ACD/KOC (pH 5.5): 17998.06
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6180.88
ACD/KOC (pH 7.4): 17998.06
Polar Surface Area: 110 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 485.3±3.0 cm3

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