ChemSpider 2D Image | (3beta,5alpha,9xi,16beta)-3-Amino-16,21:20,24-diepoxycholane-21,24-dione | C24H35NO4

(3β,5α,9ξ,16β)-3-Amino-16,21:20,24-diepoxycholane-21,24-dione

  • Molecular FormulaC24H35NO4
  • Average mass401.539 Da
  • Monoisotopic mass401.256622 Da
  • ChemSpider ID57641769

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,5α,9ξ,16β)-3-Amino-16,21:20,24-diepoxycholan-21,24-dion [German] [ACD/IUPAC Name]
(3β,5α,9ξ,16β)-3-Amino-16,21:20,24-diepoxycholane-21,24-dione [ACD/IUPAC Name]
(3β,5α,9ξ,16β)-3-Amino-16,21:20,24-diépoxycholane-21,24-dione [French] [ACD/IUPAC Name]
Cholane-21,24-dione, 3-amino-16,21:20,24-diepoxy-, (3β,5α,9ξ,16β)- [ACD/Index Name]
1042138-30-6 [RN]
clionamine D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 577.6±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 212.6±18.1 °C
Index of Refraction: 1.581
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 324.6±5.0 cm3

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