ChemSpider 2D Image | (3beta)-2,3,5,22-Tetrahydroxy-6-oxofurostan-26-yl beta-D-glucopyranoside | C33H54O12

(3β)-2,3,5,22-Tetrahydroxy-6-oxofurostan-26-yl β-D-glucopyranoside

  • Molecular FormulaC33H54O12
  • Average mass642.775 Da
  • Monoisotopic mass642.361511 Da
  • ChemSpider ID22943322

  • defined stereocentres - 14 of 18 defined stereocentres

More details:

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

(3β)-2,3,5,22-Tetrahydroxy-6-oxofurostan-26-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β)-2,3,5,22-Tetrahydroxy-6-oxofurostan-26-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Furostan-6-one, 26-(β-D-glucopyranosyloxy)-2,3,5,22-tetrahydroxy-, (3β)- [ACD/Index Name]
β-D-Glucopyranoside de (3β)-2,3,5,22-tétrahydroxy-6-oxofurostan-26-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 807.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.6±6.0 kJ/mol
Flash Point: 251.5±27.8 °C
Index of Refraction: 1.616
Molar Refractivity: 159.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.84
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.85
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.85
Polar Surface Area: 207 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 457.5±5.0 cm3

Click to predict properties on the Chemicalize site


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