ChemSpider 2D Image | (3beta,5xi,9xi,21alpha,22alpha)-Olean-12-ene-3,21,22,24-tetrol | C30H50O4

(3β,5ξ,9ξ,21α,22α)-Olean-12-ene-3,21,22,24-tetrol

  • Molecular FormulaC30H50O4
  • Average mass474.716 Da
  • Monoisotopic mass474.370911 Da
  • ChemSpider ID23227313

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(3β,5ξ,9ξ,21α,22α)-Olean-12-en-3,21,22,24-tetrol [German] [ACD/IUPAC Name]
(3β,5ξ,9ξ,21α,22α)-Olean-12-ene-3,21,22,24-tetrol [ACD/IUPAC Name]
(3β,5ξ,9ξ,21α,22α)-Oléan-12-ène-3,21,22,24-tétrol [French] [ACD/IUPAC Name]
Olean-12-ene-3,21,22,24-tetrol, (3β,5ξ,9ξ,21α,22α)- [ACD/Index Name]
(3S,4R,4aR,6aS,6bR,9S,10S,12aR,14bS)-9-Hydroxymethyl-2,2,4a,6a,6b,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-3,4,10-triol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 571.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 233.6±24.7 °C
Index of Refraction: 1.574
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29933.94
ACD/KOC (pH 5.5): 55670.18
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29933.94
ACD/KOC (pH 7.4): 55670.18
Polar Surface Area: 81 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 413.8±5.0 cm3

Click to predict properties on the Chemicalize site


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