ChemSpider 2D Image | (3beta,5alpha,6alpha,10xi,13xi,17beta)-Androstane-3,6,17-triol | C19H32O3

(3β,5α,6α,10ξ,13ξ,17β)-Androstane-3,6,17-triol

  • Molecular FormulaC19H32O3
  • Average mass308.456 Da
  • Monoisotopic mass308.235138 Da
  • ChemSpider ID58817287

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(3β,5α,6α,10ξ,13ξ,17β)-Androstan-3,6,17-triol [German] [ACD/IUPAC Name]
(3β,5α,6α,10ξ,13ξ,17β)-Androstane-3,6,17-triol [ACD/IUPAC Name]
(3β,5α,6α,10ξ,13ξ,17β)-Androstane-3,6,17-triol [French] [ACD/IUPAC Name]
Androstane-3,6,17-triol, (3β,5α,6α,10ξ,13ξ,17β)- [ACD/Index Name]
49644-04-4 [RN]
Androstane-3,6,17-triol [ACD/Index Name] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 456.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±6.0 kJ/mol
Flash Point: 207.4±19.2 °C
Index of Refraction: 1.567
Molar Refractivity: 86.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.35
ACD/KOC (pH 5.5): 268.40
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.35
ACD/KOC (pH 7.4): 268.40
Polar Surface Area: 61 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 265.1±3.0 cm3

Click to predict properties on the Chemicalize site


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