Found 17 results

Search term: NTWLPZMPTFQYQI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3alpha,5beta,8alpha,9beta,10alpha,14beta,17alpha,18alpha)-Olean-12-ene-3,23-diol | C30H50O2

(3α,5β,8α,9β,10α,14β,17α,18α)-Olean-12-ene-3,23-diol

  • Molecular FormulaC30H50O2
  • Average mass442.717 Da
  • Monoisotopic mass442.381073 Da
  • ChemSpider ID114553160

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,5β,8α,9β,10α,14β,17α,18α)-Olean-12-en-3,23-diol [German] [ACD/IUPAC Name]
(3α,5β,8α,9β,10α,14β,17α,18α)-Olean-12-ene-3,23-diol [ACD/IUPAC Name]
(3α,5β,8α,9β,10α,14β,17α,18α)-Oléan-12-ène-3,23-diol [French] [ACD/IUPAC Name]
Olean-12-ene-3,23-diol, (3α,5β,8α,9β,10α,14β,17α,18α)- [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: 524.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.9±6.0 kJ/mol
Flash Point: 212.2±24.7 °C
Index of Refraction: 1.551
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.41
ACD/LogD (pH 5.5): 8.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1184449.00
ACD/LogD (pH 7.4): 8.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1184449.00
Polar Surface Area: 40 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 418.1±5.0 cm3

Click to predict properties on the Chemicalize site


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