ChemSpider 2D Image | Butaprost | C23H38O5

Butaprost

  • Molecular FormulaC23H38O5
  • Average mass394.545 Da
  • Monoisotopic mass394.271912 Da
  • ChemSpider ID32820950

  • 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,16R)-11,16-Dihydroxy-9-oxo-17-propyl-17,20-cycloprost-13-en-1-oic acid [ACD/IUPAC Name]
(11α,13E,16R)-11,16-Dihydroxy-9-oxo-17-propyl-17,20-cycloprost-13-en-1-säure [German] [ACD/IUPAC Name]
17,20-Cycloprost-13-en-1-oic acid, 11,16-dihydroxy-9-oxo-17-propyl-, (11α,13E,16R)- [ACD/Index Name]
433219-55-7 [RN]
7-{(1R,2R,3R)-3-Hydroxy-2-[(1E,4R)-4-hydroxy-4-(1-propylcyclobutyl)-1-buten-1-yl]-5-oxocyclopentyl}heptanoic acid [ACD/IUPAC Name]
7-{(1R,2R,3R)-3-Hydroxy-2-[(1E,4R)-4-hydroxy-4-(1-propylcyclobutyl)-1-buten-1-yl]-5-oxocyclopentyl}heptansäure [German] [ACD/IUPAC Name]
Acide (11α,13E,16R)-11,16-dihydroxy-9-oxo-17-propyl-17,20-cycloprost-13-én-1-oïque [French] [ACD/IUPAC Name]
Acide 7-{(1R,2R,3R)-3-hydroxy-2-[(1E,4R)-4-hydroxy-4-(1-propylcyclobutyl)-1-butén-1-yl]-5-oxocyclopentyl}heptanoïque [French] [ACD/IUPAC Name]
Butaprost [BAN] [INN] [USAN]
Cyclopentaneheptanoic acid, 3-hydroxy-2-[(1E,4R)-4-hydroxy-4-(1-propylcyclobutyl)-1-buten-1-yl]-5-oxo-, (1R,2R,3R)- [ACD/Index Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 565.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.6±6.0 kJ/mol
Flash Point: 310.0±26.6 °C
Index of Refraction: 1.558
Molar Refractivity: 111.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 16.78
ACD/KOC (pH 5.5): 155.13
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.49
Polar Surface Area: 95 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 344.4±3.0 cm3

Click to predict properties on the Chemicalize site


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