Found 1 result

Search term: C1[C@]2([C@@H]([C@@H](CC1)O)C(=O)C=C1C2CC[C@]2([C@]1(CC[C@@H]2[C@]([C@@H](CCC(C)(C)O)O)(O)C)O)C)C (Found by conversion of search term to chemical structure (connectivity match))

ChemSpider 2D Image | (4alpha,5beta,22R)-4,14,20,22,25-Pentahydroxycholest-7-en-6-one | C27H44O6

(4α,5β,22R)-4,14,20,22,25-Pentahydroxycholest-7-en-6-one

  • Molecular FormulaC27H44O6
  • Average mass464.635 Da
  • Monoisotopic mass464.313782 Da
  • ChemSpider ID58197154
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(4α,5β,22R)-4,14,20,22,25-Pentahydroxycholest-7-en-6-on [German] [ACD/IUPAC Name]
(4α,5β,22R)-4,14,20,22,25-Pentahydroxycholest-7-en-6-one [ACD/IUPAC Name]
(4α,5β,22R)-4,14,20,22,25-Pentahydroxycholest-7-én-6-one [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 4,14,20,22,25-pentahydroxy-, (4α,5β,22R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 672.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 374.3±28.0 °C
Index of Refraction: 1.584
Molar Refractivity: 126.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.48
ACD/KOC (pH 5.5): 117.57
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.48
ACD/KOC (pH 7.4): 117.57
Polar Surface Area: 118 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 377.3±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement