ChemSpider 2D Image | 4-[(8xi,9xi,14xi)-Cholest-5-en-3-yl]-2-hydroxy-2-azaspiro[4.4]nonane-1,3,6,9-tetrone | C35H51NO5

4-[(8ξ,9ξ,14ξ)-Cholest-5-en-3-yl]-2-hydroxy-2-azaspiro[4.4]nonane-1,3,6,9-tetrone

  • Molecular FormulaC35H51NO5
  • Average mass565.783 Da
  • Monoisotopic mass565.376709 Da
  • ChemSpider ID128743

  • defined stereocentres - 4 of 9 defined stereocentres

More details:

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

2-Azaspiro[4.4]nonane-1,3,6,9-tetrone, 4-[(8ξ,9ξ,14ξ)-cholest-5-en-3-yl]-2-hydroxy- [ACD/Index Name]
4-[(8ξ,9ξ,14ξ)-Cholest-5-en-3-yl]-2-hydroxy-2-azaspiro[4.4]nonan-1,3,6,9-tetron [German] [ACD/IUPAC Name]
4-[(8ξ,9ξ,14ξ)-Cholest-5-en-3-yl]-2-hydroxy-2-azaspiro[4.4]nonane-1,3,6,9-tetrone [ACD/IUPAC Name]
4-[(8ξ,9ξ,14ξ)-Cholest-5-én-3-yl]-2-hydroxy-2-azaspiro[4.4]nonane-1,3,6,9-tétrone [French] [ACD/IUPAC Name]
88848-79-7 [RN]
Cholesterylsuccinyl-N-hydroxysuccinimide
Chs-N-HS

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

Density: 1.2±0.1 g/cm3
Boiling Point: 692.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.0±6.0 kJ/mol
Flash Point: 372.7±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 157.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.88
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 138805.73
ACD/KOC (pH 5.5): 166398.16
ACD/LogD (pH 7.4): 6.80
ACD/BCF (pH 7.4): 74541.46
ACD/KOC (pH 7.4): 89359.14
Polar Surface Area: 92 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 477.0±5.0 cm3

Click to predict properties on the Chemicalize site


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