Found 90 results

Search term: MF = 'C_{31}H_{52}O_{5}'
ChemSpider 2D Image | 23ξ-acetoxy-4α,24-dimethyl-5α-cholest-24(28)-en-3β,8β,11β-triol | C31H52O5

23ξ-acetoxy-4α,24-dimethyl-5α-cholest-24(28)-en-3β,8β,11β-triol

  • Molecular FormulaC31H52O5
  • Average mass504.742 Da
  • Monoisotopic mass504.381470 Da
  • ChemSpider ID60596929

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(3β,4α,5α,11β)-3,8,11-Trihydroxy-4-methylergost-24(28)-en-23-yl acetate [ACD/IUPAC Name]
(3β,4α,5α,11β)-3,8,11-Trihydroxy-4-methylergost-24(28)-en-23-yl-acetat [German] [ACD/IUPAC Name]
23ξ-acetoxy-4α,24-dimethyl-5α-cholest-24(28)-en-3β,8β,11β-triol
23ξ-acetoxy-4α,24-dimethyl-5α-cholest-24(28)-en-3β,8β,11β-triol
Acétate de (3β,4α,5α,11β)-3,8,11-trihydroxy-4-méthylergost-24(28)-én-23-yle [French] [ACD/IUPAC Name]
Ergost-24(28)-ene-3,8,11,23-tetrol, 4-methyl-, 23-acetate, (3β,4α,5α,11β)- [ACD/Index Name]
23-acetoxy-4α,24-dimethyl-5α-cholest-24(28)-en-3β,8β,11β-triol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 595.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.9±6.0 kJ/mol
Flash Point: 181.6±23.6 °C
Index of Refraction: 1.531
Molar Refractivity: 143.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3558.63
ACD/KOC (pH 5.5): 12122.77
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3558.63
ACD/KOC (pH 7.4): 12122.77
Polar Surface Area: 87 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 463.1±3.0 cm3

Click to predict properties on the Chemicalize site


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