ChemSpider 2D Image | (2beta,3beta,5beta,9xi,22R)-2,3,14,20,22,24,25-Heptahydroxycholest-7-en-6-one | C27H44O8

(2β,3β,5β,9ξ,22R)-2,3,14,20,22,24,25-Heptahydroxycholest-7-en-6-one

  • Molecular FormulaC27H44O8
  • Average mass496.634 Da
  • Monoisotopic mass496.303619 Da
  • ChemSpider ID29814037

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(2β,3β,5β,9ξ,22R)-2,3,14,20,22,24,25-Heptahydroxycholest-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,9ξ,22R)-2,3,14,20,22,24,25-Heptahydroxycholest-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,9ξ,22R)-2,3,14,20,22,24,25-Heptahydroxycholest-7-én-6-one [French] [ACD/IUPAC Name]
(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,5,6-tetrahydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Compound NP-003145

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

Density: 1.3±0.1 g/cm3
Boiling Point: 745.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.0±6.0 kJ/mol
Flash Point: 418.5±29.4 °C
Index of Refraction: 1.610
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.61
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.00
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.00
Polar Surface Area: 159 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 373.1±5.0 cm3

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