ChemSpider 2D Image | (5beta,8alpha,9beta,10alpha,12alpha)-16-Hydroxyatis-13-en-3-one | C20H30O2

(5β,8α,9β,10α,12α)-16-Hydroxyatis-13-en-3-one

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID103884948

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5β,8α,9β,10α,12α)-16-Hydroxyatis-13-en-3-on [German] [ACD/IUPAC Name]
(5β,8α,9β,10α,12α)-16-Hydroxyatis-13-en-3-one [ACD/IUPAC Name]
(5β,8α,9β,10α,12α)-16-Hydroxyatis-13-én-3-one [French] [ACD/IUPAC Name]
119642-81-8 [RN]
Atis-13-en-3-one, 16-hydroxy-, (5β,8α,9β,10α,12α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 415.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±6.0 kJ/mol
Flash Point: 177.4±21.3 °C
Index of Refraction: 1.557
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 884.35
ACD/KOC (pH 5.5): 4475.02
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 884.35
ACD/KOC (pH 7.4): 4475.02
Polar Surface Area: 37 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 273.5±5.0 cm3

Click to predict properties on the Chemicalize site


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