ChemSpider 2D Image | (3beta,12beta,22R)-3-Acetoxy-16-hydroxyfurost-25-en-12-yl benzoate | C36H50O6

(3β,12β,22R)-3-Acetoxy-16-hydroxyfurost-25-en-12-yl benzoate

  • Molecular FormulaC36H50O6
  • Average mass578.779 Da
  • Monoisotopic mass578.360718 Da
  • ChemSpider ID9738037

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(3β,12β,22R)-3-Acetoxy-16-hydroxyfurost-25-en-12-yl benzoate [ACD/IUPAC Name]
(3β,12β,22R)-3-Acetoxy-16-hydroxyfurost-25-en-12-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (3β,12β,22R)-3-acétoxy-16-hydroxyfurost-25-én-12-yle [French] [ACD/IUPAC Name]
Furost-25-en-3,12,16-triol, 3-acetate 12-benzoate, (3β,12β,22β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 192.2±25.0 °C
Index of Refraction: 1.568
Molar Refractivity: 161.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.39
ACD/LogD (pH 5.5): 7.59
ACD/BCF (pH 5.5): 344879.41
ACD/KOC (pH 5.5): 320210.44
ACD/LogD (pH 7.4): 7.59
ACD/BCF (pH 7.4): 344877.53
ACD/KOC (pH 7.4): 320208.66
Polar Surface Area: 82 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 494.3±5.0 cm3

Click to predict properties on the Chemicalize site


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