ChemSpider 2D Image | (3alpha,5alpha,17Z)-Pregn-17-en-3-ol | C21H34O

(3α,5α,17Z)-Pregn-17-en-3-ol

  • Molecular FormulaC21H34O
  • Average mass302.494 Da
  • Monoisotopic mass302.260956 Da
  • ChemSpider ID57525588

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3α,5α,17Z)-Pregn-17-en-3-ol [German] [ACD/IUPAC Name]
(3α,5α,17Z)-Pregn-17-en-3-ol [ACD/IUPAC Name]
(3α,5α,17Z)-Prégn-17-én-3-ol [French] [ACD/IUPAC Name]
Pregn-17-en-3-ol, (3α,5α,17Z)- [ACD/Index Name]
(3R,5S,8R,9S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol
(3α,5α,17Z)-Pregn-17(20)-en-3-ol
68199-34-8 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 402.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.6±6.0 kJ/mol
Flash Point: 170.7±21.0 °C
Index of Refraction: 1.567
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7336.59
ACD/KOC (pH 5.5): 20347.51
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7336.59
ACD/KOC (pH 7.4): 20347.51
Polar Surface Area: 20 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 288.3±3.0 cm3

Click to predict properties on the Chemicalize site


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