ChemSpider 2D Image | 1-[(3alpha,6alpha,17xi,20xi)-3,6-Dihydroxy-24-oxocholan-24-yl]-D-proline | C29H47NO5

1-[(3α,6α,17ξ,20ξ)-3,6-Dihydroxy-24-oxocholan-24-yl]-D-proline

  • Molecular FormulaC29H47NO5
  • Average mass489.687 Da
  • Monoisotopic mass489.345428 Da
  • ChemSpider ID31106256

  • defined stereocentres - 8 of 11 defined stereocentres

More details:

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

1-[(3α,6α,17ξ,20ξ)-3,6-Dihydroxy-24-oxocholan-24-yl]-D-prolin [German] [ACD/IUPAC Name]
1-[(3α,6α,17ξ,20ξ)-3,6-Dihydroxy-24-oxocholan-24-yl]-D-proline [ACD/IUPAC Name]
1-[(3α,6α,17ξ,20ξ)-3,6-Dihydroxy-24-oxocholan-24-yl]-D-proline [French] [ACD/IUPAC Name]
D-Proline, 1-[(3α,6α,17ξ,20ξ)-3,6-dihydroxy-24-oxocholan-24-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 668.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 358.0±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 8.95
ACD/KOC (pH 5.5): 50.89
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.24
Polar Surface Area: 98 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 415.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement