ChemSpider 2D Image | (5beta)-Rosane-5,15,16-triol | C20H36O3

(5β)-Rosane-5,15,16-triol

  • Molecular FormulaC20H36O3
  • Average mass324.498 Da
  • Monoisotopic mass324.266449 Da
  • ChemSpider ID28425573
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(5β)-Rosan-5,15,16-triol [German] [ACD/IUPAC Name]
(5β)-Rosane-5,15,16-triol [ACD/IUPAC Name]
(5β)-Rosane-5,15,16-triol [French] [ACD/IUPAC Name]
1,2-Ethanediol, 1-[(2R,4aR,4bS,8aR,10aR)-tetradecahydro-8a-hydroxy-2,4a,8,8-tetramethyl-2-phenanthrenyl]- [ACD/Index Name]
[7121-99-5]
7121-99-5 [RN]
Erythroxytriol P
MFCD20274620

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 451.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.0±6.0 kJ/mol
Flash Point: 199.1±15.0 °C
Index of Refraction: 1.523
Molar Refractivity: 93.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 484.98
ACD/KOC (pH 5.5): 2911.02
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 484.98
ACD/KOC (pH 7.4): 2911.02
Polar Surface Area: 61 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 304.3±3.0 cm3

Click to predict properties on the Chemicalize site






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