ChemSpider 2D Image | (5Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-4-phenoxy-1-buten-1-yl]-5-oxocyclopentyl}-N-(methylsulfonyl)-5-heptenamide | C23H31NO7S

(5Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-4-phenoxy-1-buten-1-yl]-5-oxocyclopentyl}-N-(methylsulfonyl)-5-heptenamide

  • Molecular FormulaC23H31NO7S
  • Average mass465.560 Da
  • Monoisotopic mass465.182129 Da
  • ChemSpider ID29787047

  • 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

(5Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-4-phenoxy-1-buten-1-yl]-5-oxocyclopentyl}-N-(methylsulfonyl)-5-heptenamid [German] [ACD/IUPAC Name]
(5Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-4-phenoxy-1-buten-1-yl]-5-oxocyclopentyl}-N-(methylsulfonyl)-5-heptenamide [ACD/IUPAC Name]
(5Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-4-phénoxy-1-butén-1-yl]-5-oxocyclopentyl}-N-(méthylsulfonyl)-5-hepténamide [French] [ACD/IUPAC Name]
5-Heptenamide, 7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxy-4-phenoxy-1-buten-1-yl]-5-oxocyclopentyl]-N-(methylsulfonyl)-, (5Z)- [ACD/Index Name]
(5Z)-7-{(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxy-4-phenoxybut-1-en-1-yl]-5-oxocyclopentyl}-N-(methylsulfonyl)hept-5-enamide
Sulprostone [INN] [USAN] [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.589
Molar Refractivity: 120.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.52
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 358.1±3.0 cm3

Click to predict properties on the Chemicalize site


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