ChemSpider 2D Image | (5E,9beta,11alpha,15R)-9,11,15-Trihydroxy-16,16-dimethylprosta-5,13-dien-1-oic acid | C22H38O5

(5E,9β,11α,15R)-9,11,15-Trihydroxy-16,16-dimethylprosta-5,13-dien-1-oic acid

  • Molecular FormulaC22H38O5
  • Average mass382.534 Da
  • Monoisotopic mass382.271912 Da
  • ChemSpider ID68905725

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5E,9β,11α,15R)-9,11,15-Trihydroxy-16,16-dimethylprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5E,9β,11α,15R)-9,11,15-Trihydroxy-16,16-dimethylprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5E,9β,11α,15R)-9,11,15-trihydroxy-16,16-diméthylprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-16,16-dimethyl-, (5E,9β,11α,15R)- [ACD/Index Name]
59769-89-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 542.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.4±6.0 kJ/mol
Flash Point: 295.9±26.6 °C
Index of Refraction: 1.560
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 12.09
ACD/KOC (pH 5.5): 121.76
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.95
Polar Surface Area: 98 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 340.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement