ChemSpider 2D Image | (1beta,2beta,3beta,5beta,6alpha)-1,2,3,6,22-Pentahydroxyfurost-25-en-27-yl beta-D-glucopyranoside | C33H54O12

(1β,2β,3β,5β,6α)-1,2,3,6,22-Pentahydroxyfurost-25-en-27-yl β-D-glucopyranoside

  • Molecular FormulaC33H54O12
  • Average mass642.775 Da
  • Monoisotopic mass642.361511 Da
  • ChemSpider ID9896277

  • defined stereocentres - 18 of 19 defined stereocentres

More details:

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

(1β,2β,3β,5β,6α)-1,2,3,6,22-Pentahydroxyfurost-25-en-27-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1β,2β,3β,5β,6α)-1,2,3,6,22-Pentahydroxyfurost-25-en-27-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1β,2β,3β,5β,6α)-1,2,3,6,22-pentahydroxyfurost-25-én-27-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1β,2β,3β,5β,6α)-1,2,3,6,22-pentahydroxyfurost-25-en-27-yl [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 805.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.4±6.0 kJ/mol
Flash Point: 441.0±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.51
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.51
Polar Surface Area: 210 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 453.9±5.0 cm3

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