Found 1 result

Search term: C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)CC1[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 (connectivity match))
ChemSpider 2D Image | (2beta,3beta,5beta,22R)-2,3,14,20,22-Pentahydroxycholestan-6-one | C27H46O6

(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxycholestan-6-one

  • Molecular FormulaC27H46O6
  • Average mass466.651 Da
  • Monoisotopic mass466.329437 Da
  • ChemSpider ID115267367

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxycholestan-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxycholestan-6-one [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxycholestan-6-one [French] [ACD/IUPAC Name]
Cholestan-6-one, 2,3,14,20,22-pentahydroxy-, (2β,3β,5β,22R)- [ACD/Index Name]
(22R)-2β,3β,14α,20,22-pentahydroxy-5β-cholestane-6-one
7,8β-dihydroponasterone A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 620.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.4±6.0 kJ/mol
Flash Point: 343.1±28.0 °C
Index of Refraction: 1.571
Molar Refractivity: 126.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.65
ACD/KOC (pH 5.5): 314.40
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.65
ACD/KOC (pH 7.4): 314.40
Polar Surface Area: 118 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 384.4±3.0 cm3

Click to predict properties on the Chemicalize site


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