ChemSpider 2D Image | (3alpha,5beta)-3-Hydroxy(2,2,3,4,4-~2~H_5_)androstan-17-one | C19H25D5O2

(3α,5β)-3-Hydroxy(2,2,3,4,4-2H5)androstan-17-one

  • Molecular FormulaC19H25D5O2
  • Average mass295.471 Da
  • Monoisotopic mass295.255951 Da
  • ChemSpider ID58779764
  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3α,5β)-3-Hydroxy(2,2,3,4,4-2H5)androstan-17-on [German] [ACD/IUPAC Name]
(3α,5β)-3-Hydroxy(2,2,3,4,4-2H5)androstan-17-one [ACD/IUPAC Name]
(3α,5β)-3-Hydroxy(2,2,3,4,4-2H5)androstan-17-one [French] [ACD/IUPAC Name]
200-659-6 [EINECS]
Androstan-17-one-2,2,3,4,4-d5, 3-hydroxy-, (3α,5β)- [ACD/Index Name]
(3R,5R,8R,9S,10S,13S,14S)-2,2,3,4,4-pentadeuterio-3-hydroxy-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
1620102-33-1 [RN]
Etiocholanolone-2,2,3,4,4-d5missing
MFCD00064133 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 413.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±6.0 kJ/mol
Flash Point: 176.4±21.3 °C
Index of Refraction: 1.536
Molar Refractivity: 83.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 375.87
ACD/KOC (pH 5.5): 2425.60
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 375.87
ACD/KOC (pH 7.4): 2425.60
Polar Surface Area: 37 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 267.6±3.0 cm3

Click to predict properties on the Chemicalize site






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