ChemSpider 2D Image | 4-[(2R,3R)-3-[4-(D-Glucopyranosyloxy)-3-methoxybenzyl]-4-hydroxy-2-(hydroxymethyl)butyl]-2-methoxyphenyl D-glucopyranoside | C32H46O16

4-[(2R,3R)-3-[4-(D-Glucopyranosyloxy)-3-methoxybenzyl]-4-hydroxy-2-(hydroxymethyl)butyl]-2-methoxyphenyl D-glucopyranoside

  • Molecular FormulaC32H46O16
  • Average mass686.698 Da
  • Monoisotopic mass686.278564 Da
  • ChemSpider ID8570286

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

4-[(2R,3R)-3-[4-(D-Glucopyranosyloxy)-3-methoxybenzyl]-4-hydroxy-2-(hydroxymethyl)butyl]-2-methoxyphenyl D-glucopyranoside [ACD/IUPAC Name]
4-[(2R,3R)-3-[4-(D-Glucopyranosyloxy)-3-methoxybenzyl]-4-hydroxy-2-(hydroxymethyl)butyl]-2-methoxyphenyl-D-glucopyranosid [German] [ACD/IUPAC Name]
D-Glucopyranoside de 4-[(2R,3R)-3-[4-(D-glucopyranosyloxy)-3-méthoxybenzyl]-4-hydroxy-2-(hydroxyméthyl)butyl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
D-Glucopyranoside, 4-[(2R,3R)-4-[4-(D-glucopyranosyloxy)-3-methoxyphenyl]-2,3-bis(hydroxymethyl)butyl]-2-methoxyphenyl [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 965.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.2±3.0 kJ/mol
Flash Point: 537.4±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 166.6±0.3 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -3.48
ACD/LogD (pH 5.5): -2.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 258 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 466.9±3.0 cm3

Click to predict properties on the Chemicalize site


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