ChemSpider 2D Image | beta-D-Glucopyranosyl beta-D-glucopyranosyl-(1->2)-1-C-{[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl}-beta-D-glucopyranoside | C26H41NO18

β-D-Glucopyranosyl β-D-glucopyranosyl-(1->2)-1-C-{[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl}-β-D-glucopyranoside

  • Molecular FormulaC26H41NO18
  • Average mass655.600 Da
  • Monoisotopic mass655.232361 Da
  • ChemSpider ID2340141

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

β-D-Glucopyranoside, O-β-D-glucopyranosyl-(1->3)-1-deoxy-1-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]-β-D-gluco-2-heptulopyranosyl [ACD/Index Name]
β-D-Glucopyranosyl β-D-glucopyranosyl-(1->2)-1-C-{[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl}-β-D-glucopyranoside [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->2)-1-C-{[5-hydroxy-4-(hydroxyméthyl)-6-méthyl-3-pyridinyl]méthyl}-β-D-glucopyranoside de β-D-glucopyranosyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosyl-β-D-glucopyranosyl-(1->2)-1-C-{[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl}-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-2-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl]-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
116169-16-5 [RN]
5/'-O-(glucotriosyl)pyridoxine
5-Gtpd
5'-O-(Glucotriosyl)pyridoxine
b-D-Glucopyranoside,[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl O-b-D-glucopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®4)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 1057.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.2±3.0 kJ/mol
Flash Point: 593.4±34.3 °C
Index of Refraction: 1.704
Molar Refractivity: 144.0±0.4 cm3
#H bond acceptors: 19
#H bond donors: 13
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -5.57
ACD/LogD (pH 5.5): -5.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 322 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 124.1±5.0 dyne/cm
Molar Volume: 370.8±5.0 cm3

Click to predict properties on the Chemicalize site


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