Found 1 result

Search term: C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1C2CC[C@]2(C1CC[C@@H]2[C@](C)([C@@H](CCC(C)C)O)O)C)C (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | ponasterone F | C27H44O5

ponasterone F

  • Molecular FormulaC27H44O5
  • Average mass448.635 Da
  • Monoisotopic mass448.318878 Da
  • ChemSpider ID68003735

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2β,3β,5β,22R)-2,3,20,22-Tetrahydroxycholest-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,20,22-Tetrahydroxycholest-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,20,22-Tétrahydroxycholest-7-én-6-one [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 2,3,20,22-tetrahydroxy-, (2β,3β,5β,22R)- [ACD/Index Name]
ponasterone F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 608.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.7±6.0 kJ/mol
Flash Point: 335.7±28.0 °C
Index of Refraction: 1.568
Molar Refractivity: 124.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.44
ACD/KOC (pH 5.5): 861.07
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 88.44
ACD/KOC (pH 7.4): 861.07
Polar Surface Area: 98 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 381.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement