ChemSpider 2D Image | (5xi,8xi,9xi,10xi,13xi,14xi,17xi)-2,3,18,21-Tetrahydroxy-11,18-epoxypregnan-20-one | C21H32O6

(5ξ,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-2,3,18,21-Tetrahydroxy-11,18-epoxypregnan-20-one

  • Molecular FormulaC21H32O6
  • Average mass380.475 Da
  • Monoisotopic mass380.219879 Da
  • ChemSpider ID28680013

More details:

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

(5ξ,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-2,3,18,21-Tetrahydroxy-11,18-epoxypregnan-20-on [German] [ACD/IUPAC Name]
(5ξ,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-2,3,18,21-Tetrahydroxy-11,18-epoxypregnan-20-one [ACD/IUPAC Name]
(5ξ,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-2,3,18,21-Tétrahydroxy-11,18-époxyprégnan-20-one [French] [ACD/IUPAC Name]
Pregnan-20-one, 11,18-epoxy-2,3,18,21-tetrahydroxy-, (5ξ,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 578.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.4±6.0 kJ/mol
Flash Point: 202.4±23.6 °C
Index of Refraction: 1.612
Molar Refractivity: 96.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.06
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.06
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.06
Polar Surface Area: 107 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 278.5±5.0 cm3

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