ChemSpider 2D Image | 3?,5?-tetrahydronorethisterone | C20H30O2

3?,5?-tetrahydronorethisterone

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID20051012

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,5α,17α)-19-Norpregn-20-in-3,17-diol [German] [ACD/IUPAC Name]
(3α,5α,17α)-19-Norpregn-20-yne-3,17-diol [ACD/IUPAC Name]
(3α,5α,17α)-19-Norprégn-20-yne-3,17-diol [French] [ACD/IUPAC Name]
16392-60-2 [RN]
17α-Ethynyl-5α-estrane-3α,17β-diol
3?,5?-tetrahydronorethisterone
Estrane-3,17-diol, 17-ethynyl-, (3α,5α,17β)- [ACD/Index Name]
(3R,5S,8R,9R,10S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
3??,5??-tetrahydronorethisterone
3α,5α-Tetrahydronorethisterone
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 428.9±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.0±6.0 kJ/mol
    Flash Point: 192.5±15.8 °C
    Index of Refraction: 1.568
    Molar Refractivity: 87.2±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.24
    ACD/LogD (pH 5.5): 3.52
    ACD/BCF (pH 5.5): 278.85
    ACD/KOC (pH 5.5): 1958.84
    ACD/LogD (pH 7.4): 3.52
    ACD/BCF (pH 7.4): 278.85
    ACD/KOC (pH 7.4): 1958.84
    Polar Surface Area: 40 Å2
    Polarizability: 34.6±0.5 10-24cm3
    Surface Tension: 49.5±5.0 dyne/cm
    Molar Volume: 266.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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