ChemSpider 2D Image | (2beta,3beta,5beta,8alpha,9beta,10alpha,13alpha,14beta,17alpha,20R,22S,23S,24R)-2,3,22,23-Tetrahydroxystigmastan-6-one | C29H50O5

(2β,3β,5β,8α,9β,10α,13α,14β,17α,20R,22S,23S,24R)-2,3,22,23-Tetrahydroxystigmastan-6-one

  • Molecular FormulaC29H50O5
  • Average mass478.704 Da
  • Monoisotopic mass478.365814 Da
  • ChemSpider ID114563725

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2β,3β,5β,8α,9β,10α,13α,14β,17α,20R,22S,23S,24R)-2,3,22,23-Tetrahydroxystigmastan-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,8α,9β,10α,13α,14β,17α,20R,22S,23S,24R)-2,3,22,23-Tetrahydroxystigmastan-6-one [ACD/IUPAC Name]
(2β,3β,5β,8α,9β,10α,13α,14β,17α,20R,22S,23S,24R)-2,3,22,23-Tétrahydroxystigmastan-6-one [French] [ACD/IUPAC Name]
Stigmastan-6-one, 2,3,22,23-tetrahydroxy-, (2β,3β,5β,8α,9β,10α,13α,14β,17α,20R,22S,23S,24R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 608.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.7±6.0 kJ/mol
Flash Point: 336.0±28.0 °C
Index of Refraction: 1.539
Molar Refractivity: 134.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 279.65
ACD/KOC (pH 5.5): 1962.90
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 279.65
ACD/KOC (pH 7.4): 1962.90
Polar Surface Area: 98 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 428.8±3.0 cm3

Click to predict properties on the Chemicalize site


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