ChemSpider 2D Image | (2alpha,3alpha,5alpha,17beta)-2,3-Dihydroxy-17-[(1S)-1-{(4R,5R)-2-methyl-5-[(1R)-2-methyl-1-phenylpropyl]-1,3-dioxolan-4-yl}ethyl]androstan-6-one | C35H52O5

(2α,3α,5α,17β)-2,3-Dihydroxy-17-[(1S)-1-{(4R,5R)-2-methyl-5-[(1R)-2-methyl-1-phenylpropyl]-1,3-dioxolan-4-yl}ethyl]androstan-6-one

  • Molecular FormulaC35H52O5
  • Average mass552.784 Da
  • Monoisotopic mass552.381470 Da
  • ChemSpider ID8545826

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(2α,3α,5α,17β)-2,3-Dihydroxy-17-[(1S)-1-{(4R,5R)-2-methyl-5-[(1R)-2-methyl-1-phenylpropyl]-1,3-dioxolan-4-yl}ethyl]androstan-6-on [German] [ACD/IUPAC Name]
(2α,3α,5α,17β)-2,3-Dihydroxy-17-[(1S)-1-{(4R,5R)-2-methyl-5-[(1R)-2-methyl-1-phenylpropyl]-1,3-dioxolan-4-yl}ethyl]androstan-6-one [ACD/IUPAC Name]
(2α,3α,5α,17β)-2,3-Dihydroxy-17-[(1S)-1-{(4R,5R)-2-méthyl-5-[(1R)-2-méthyl-1-phénylpropyl]-1,3-dioxolan-4-yl}éthyl]androstan-6-one [French] [ACD/IUPAC Name]
Androstan-6-one, 2,3-dihydroxy-17-[(1S)-1-[(4R,5R)-2-methyl-5-[(1R)-2-methyl-1-phenylpropyl]-1,3-dioxolan-4-yl]ethyl]-, (2α,3α,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: 636.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 193.1±25.0 °C
Index of Refraction: 1.551
Molar Refractivity: 157.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.48
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 11992.21
ACD/KOC (pH 5.5): 28924.42
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 11992.21
ACD/KOC (pH 7.4): 28924.42
Polar Surface Area: 76 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 492.5±3.0 cm3

Click to predict properties on the Chemicalize site


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