Found 1 result

Search term: C1[C@]2([C@@H](C[C@@H]([C@@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)C)O)O)O)C)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2alpha,3alpha,5beta,22R)-2,3,14,20,22-Pentahydroxycholest-7-en-6-one | C27H44O6

(2α,3α,5β,22R)-2,3,14,20,22-Pentahydroxycholest-7-en-6-one

  • Molecular FormulaC27H44O6
  • Average mass464.635 Da
  • Monoisotopic mass464.313782 Da
  • ChemSpider ID68024150

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2α,3α,5β,22R)-2,3,14,20,22-Pentahydroxycholest-7-en-6-on [German] [ACD/IUPAC Name]
(2α,3α,5β,22R)-2,3,14,20,22-Pentahydroxycholest-7-en-6-one [ACD/IUPAC Name]
(2α,3α,5β,22R)-2,3,14,20,22-Pentahydroxycholest-7-én-6-one [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 2,3,14,20,22-pentahydroxy-, (2α,3α,5β,22R)- [ACD/Index Name]
(22R)-2α,3α,14,20,22-Pentahydroxy-5β-cholest-7-en-6-one
19338-77-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 640.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.3±6.0 kJ/mol
Flash Point: 355.2±28.0 °C
Index of Refraction: 1.582
Molar Refractivity: 126.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.83
ACD/KOC (pH 5.5): 295.29
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.83
ACD/KOC (pH 7.4): 295.29
Polar Surface Area: 118 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 378.2±5.0 cm3

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