Found 5 results

Search term: MF = 'C_{21}H_{29}D_{3}O_{3}'
ChemSpider 2D Image | (5alpha,17beta)-16,17-Dihydroxy-2-methyl-17-(~2~H_3_)methylandrost-1-en-3-one | C21H29D3O3

(5α,17β)-16,17-Dihydroxy-2-methyl-17-(2H3)methylandrost-1-en-3-one

  • Molecular FormulaC21H29D3O3
  • Average mass335.496 Da
  • Monoisotopic mass335.253967 Da
  • ChemSpider ID107444158

  • defined stereocentres - 7 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α,17β)-16,17-Dihydroxy-2-methyl-17-(2H3)methylandrost-1-en-3-on [German] [ACD/IUPAC Name]
(5α,17β)-16,17-Dihydroxy-2-methyl-17-(2H3)methylandrost-1-en-3-one [ACD/IUPAC Name]
(5α,17β)-16,17-Dihydroxy-2-méthyl-17-(2H3)méthylandrost-1-én-3-one [French] [ACD/IUPAC Name]
Androst-1-en-3-one, 16,17-dihydroxy-2-methyl-17-(methyl-d3)-, (5α,17β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 453.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±6.0 kJ/mol
Flash Point: 242.0±25.2 °C
Index of Refraction: 1.552
Molar Refractivity: 94.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 120.02
ACD/KOC (pH 5.5): 1071.36
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.02
ACD/KOC (pH 7.4): 1071.36
Polar Surface Area: 58 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 294.3±3.0 cm3

Click to predict properties on the Chemicalize site


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