ChemSpider 2D Image | (5alpha,8xi,10xi,13xi,17xi,25xi)-20-Hydroxy-6-oxocevan-3-yl acetate | C29H45NO4

(5α,8ξ,10ξ,13ξ,17ξ,25ξ)-20-Hydroxy-6-oxocevan-3-yl acetate

  • Molecular FormulaC29H45NO4
  • Average mass471.672 Da
  • Monoisotopic mass471.334869 Da
  • ChemSpider ID21781524

  • defined stereocentres - 6 of 12 defined stereocentres

More details:

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

(5α,8ξ,10ξ,13ξ,17ξ,25ξ)-20-Hydroxy-6-oxocevan-3-yl acetate [ACD/IUPAC Name]
(5α,8ξ,10ξ,13ξ,17ξ,25ξ)-20-Hydroxy-6-oxocevan-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,8ξ,10ξ,13ξ,17ξ,25ξ)-20-hydroxy-6-oxocévan-3-yle [French] [ACD/IUPAC Name]
Cevan-6-one, 3-(acetyloxy)-20-hydroxy-, (5α,8ξ,10ξ,13ξ,17ξ,25ξ)- [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: 574.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.9±6.0 kJ/mol
Flash Point: 301.3±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 131.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 8.72
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 24.16
ACD/KOC (pH 7.4): 90.06
Polar Surface Area: 67 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 400.6±5.0 cm3

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