ChemSpider 2D Image | (5E,9alpha,11alpha,13E,15R,16R)-5-Cyano-11,15-dihydroxy-16-methyl-6,9-epoxyprosta-5,13-dien-1-oic acid | C22H33NO5

(5E,9α,11α,13E,15R,16R)-5-Cyano-11,15-dihydroxy-16-methyl-6,9-epoxyprosta-5,13-dien-1-oic acid

  • Molecular FormulaC22H33NO5
  • Average mass391.501 Da
  • Monoisotopic mass391.235870 Da
  • ChemSpider ID34995473

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5E,9α,11α,13E,15R,16R)-5-Cyan-11,15-dihydroxy-16-methyl-6,9-epoxyprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
(5E,9α,11α,13E,15R,16R)-5-Cyano-11,15-dihydroxy-16-methyl-6,9-epoxyprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
Acide (5E,9α,11α,13E,15R,16R)-5-cyano-11,15-dihydroxy-16-méthyl-6,9-époxyprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 5-cyano-6,9-epoxy-11,15-dihydroxy-16-methyl-, (5E,9α,11α,13E,15R,16R)- [ACD/Index Name]
71097-83-1 [RN]
nileprost [INN]
UNII-YGD81BG4SN

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

Density: 1.2±0.1 g/cm3
Boiling Point: 576.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.2±6.0 kJ/mol
Flash Point: 302.7±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 14.94
ACD/KOC (pH 5.5): 136.94
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.17
Polar Surface Area: 111 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 323.6±3.0 cm3

Click to predict properties on the Chemicalize site


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