Found 90 results

Search term: MF = 'C_{31}H_{52}O_{5}'
ChemSpider 2D Image | 5Alpha-cholestane-3beta,5,6beta-triol 3,6-diacetate | C31H52O5

5α-cholestane-3β,5,6β-triol 3,6-diacetate

  • Molecular FormulaC31H52O5
  • Average mass504.742 Da
  • Monoisotopic mass504.381470 Da
  • ChemSpider ID7778808

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5α,6β)-5-Hydroxycholestan-3,6-diyl-diacetat [German] [ACD/IUPAC Name]
(3β,5α,6β)-5-Hydroxycholestane-3,6-diyl diacetate [ACD/IUPAC Name]
5α-cholestane-3β,5,6β-triol 3,6-diacetate
Cholestane-3,5,6-triol, 3,6-diacetate, (3β,5α,6β)- [ACD/Index Name]
Diacétate de (3β,5α,6β)-5-hydroxycholestane-3,6-diyle [French] [ACD/IUPAC 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: 544.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 161.2±19.4 °C
Index of Refraction: 1.519
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.33
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 309179.72
ACD/KOC (pH 5.5): 296119.19
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 309179.72
ACD/KOC (pH 7.4): 296119.19
Polar Surface Area: 73 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 469.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement