ChemSpider 2D Image | Butaprost | C24H40O5

Butaprost

  • Molecular FormulaC24H40O5
  • Average mass408.571 Da
  • Monoisotopic mass408.287567 Da
  • ChemSpider ID29342010

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(13E,16S)-11,16-Dihydroxy-9-oxo-17-propyl-17,20-cycloprost-13-én-1-oate de méthyle [French] [ACD/IUPAC Name]
17,20-Cycloprost-13-en-1-oic acid, 11,16-dihydroxy-9-oxo-17-propyl-, methyl ester, (13E,16S)- [ACD/Index Name]
69685-22-9 [RN]
Butaprost [BAN] [INN] [USAN]
Methyl (13E,16S)-11,16-dihydroxy-9-oxo-17-propyl-17,20-cycloprost-13-en-1-oate [ACD/IUPAC Name]
Methyl-(13E,16S)-11,16-dihydroxy-9-oxo-17-propyl-17,20-cycloprost-13-en-1-oat [German] [ACD/IUPAC Name]
9-oxo-11?,16S-dihydroxy-17-cyclobutyl-prost-13E-en-1-oic acid, methyl ester
9-oxo-11α,16S-dihydroxy-17-cyclobutyl-prost-13E-en-1-oic acid, methyl ester
Cyclopentaneheptanoic acid,3-hydroxy-2-[(1E,4S)-4-hydroxy-4-(1-propylcyclobutyl)-1-butenyl]-5-oxo-,methyl ester, (1R,2R,3R)-
methyl 7-[(1R,2R)-3-hydroxy-2-[(E,4S)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]heptanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 525.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.9±6.0 kJ/mol
Flash Point: 168.4±23.6 °C
Index of Refraction: 1.539
Molar Refractivity: 115.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 299.70
ACD/KOC (pH 5.5): 2062.61
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 299.70
ACD/KOC (pH 7.4): 2062.61
Polar Surface Area: 84 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 369.7±3.0 cm3

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