ChemSpider 2D Image | 2-hydroxymethyl-17?-methylandrosta-1,4-diene-11?,17?-diol-3-one | C21H30O4

2-hydroxymethyl-17?-methylandrosta-1,4-diene-11?,17?-diol-3-one

  • Molecular FormulaC21H30O4
  • Average mass346.461 Da
  • Monoisotopic mass346.214417 Da
  • ChemSpider ID48063805

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(11α,17β)-11,17-Dihydroxy-2-(hydroxymethyl)-17-methylandrosta-1,4-dien-3-on [German] [ACD/IUPAC Name]
(11α,17β)-11,17-Dihydroxy-2-(hydroxymethyl)-17-methylandrosta-1,4-dien-3-one [ACD/IUPAC Name]
(11α,17β)-11,17-Dihydroxy-2-(hydroxyméthyl)-17-méthylandrosta-1,4-dién-3-one [French] [ACD/IUPAC Name]
2-hydroxymethyl-17?-methylandrosta-1,4-diene-11?,17?-diol-3-one
59400-02-1 [RN]
Androsta-1,4-dien-3-one, 11,17-dihydroxy-2-(hydroxymethyl)-17-methyl-, (11α,17β)- [ACD/Index Name]
(8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-2-(hydroxymethyl)-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
2-HYDROXYMETHYL-17α-METHYLANDROSTA-1,4-DIENE-11α,17β-DIOL-3-ONE

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

D24CLG31OO [DBID]
UNII:D24CLG31OO [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 539.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.9±6.0 kJ/mol
Flash Point: 293.9±26.6 °C
Index of Refraction: 1.601
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.96
ACD/KOC (pH 5.5): 406.19
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.96
ACD/KOC (pH 7.4): 406.19
Polar Surface Area: 78 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 277.7±5.0 cm3

Click to predict properties on the Chemicalize site


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