ChemSpider 2D Image | (3beta)-3-[(2-O-Acetyl-beta-D-arabinopyranosyl)oxy]-19-hydroxycholest-5-en-25-yl acetate | C36H58O9

(3β)-3-[(2-O-Acetyl-β-D-arabinopyranosyl)oxy]-19-hydroxycholest-5-en-25-yl acetate

  • Molecular FormulaC36H58O9
  • Average mass634.840 Da
  • Monoisotopic mass634.408081 Da
  • ChemSpider ID29418083

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β)-3-[(2-O-Acetyl-β-D-arabinopyranosyl)oxy]-19-hydroxycholest-5-en-25-yl acetate [ACD/IUPAC Name]
(3β)-3-[(2-O-Acetyl-β-D-arabinopyranosyl)oxy]-19-hydroxycholest-5-en-25-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β)-3-[(2-O-acétyl-β-D-arabinopyranosyl)oxy]-19-hydroxycholest-5-én-25-yle [French] [ACD/IUPAC Name]
β-D-Arabinopyranoside, (3β)-25-(acetyloxy)-19-hydroxycholest-5-en-3-yl, 2-acetate [ACD/Index Name]
junceelloside G

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

Density: 1.2±0.1 g/cm3
Boiling Point: 699.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.1±6.0 kJ/mol
Flash Point: 208.1±25.0 °C
Index of Refraction: 1.552
Molar Refractivity: 169.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16411.06
ACD/KOC (pH 5.5): 36206.13
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16410.98
ACD/KOC (pH 7.4): 36205.97
Polar Surface Area: 132 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 531.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement