ChemSpider 2D Image | (5Z,9alpha,15R)-16,16-Difluoro-9,15-dihydroxy-11-oxoprost-5-en-1-oic acid | C20H32F2O5

(5Z,9α,15R)-16,16-Difluoro-9,15-dihydroxy-11-oxoprost-5-en-1-oic acid

  • Molecular FormulaC20H32F2O5
  • Average mass390.462 Da
  • Monoisotopic mass390.221771 Da
  • ChemSpider ID29341996
  • 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,9α,15R)-16,16-Difluor-9,15-dihydroxy-11-oxoprost-5-en-1-säure [German] [ACD/IUPAC Name]
(5Z,9α,15R)-16,16-Difluoro-9,15-dihydroxy-11-oxoprost-5-en-1-oic acid [ACD/IUPAC Name]
Acide (5Z,9α,15R)-16,16-difluoro-9,15-dihydroxy-11-oxoprost-5-én-1-oïque [French] [ACD/IUPAC Name]
Prost-5-en-1-oic acid, 16,16-difluoro-9,15-dihydroxy-11-oxo-, (5Z,9α,15R)- [ACD/Index Name]
13,14-dihydro-16,16-difluoro Prostaglandin D2
9a,15S-dihydroxy-11-oxo-16,16-difluoro-prosta-5Z-en-1-oic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 564.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 295.5±30.1 °C
Index of Refraction: 1.494
Molar Refractivity: 97.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 3.19
ACD/KOC (pH 5.5): 46.77
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 336.0±3.0 cm3

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