ChemSpider 2D Image | MFCD00069493 | C21H36O3

MFCD00069493

  • Molecular FormulaC21H36O3
  • Average mass336.509 Da
  • Monoisotopic mass336.266449 Da
  • ChemSpider ID22889181

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,5α,20S)-Pregnan-3,17,20-triol [German] [ACD/IUPAC Name]
(3α,5α,20S)-Pregnane-3,17,20-triol [ACD/IUPAC Name]
(3α,5α,20S)-Prégnane-3,17,20-triol [French] [ACD/IUPAC Name]
MFCD00069493
Pregnane-3,17,20-triol, (3α,5α,20S)- [ACD/Index Name]
(3a,5a,20R)-Pregnane-3,17,20-triol
3-α,17-α,20-β-TRIHYDROXY-5-α-PREGNANE
5??-Pregnan-3??,17,20??-triol
5α-Pregnan-3α,17,20β-triol
5-β-pregnane-3-α,17-α,20-α-triol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 469.9±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.4±6.0 kJ/mol
Flash Point: 208.2±13.6 °C
Index of Refraction: 1.551
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 177.52
ACD/KOC (pH 5.5): 1417.83
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 177.52
ACD/KOC (pH 7.4): 1417.83
Polar Surface Area: 61 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 299.6±3.0 cm3

Click to predict properties on the Chemicalize site


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