ChemSpider 2D Image | {4-[(beta-D-Glucopyranosyloxy)methyl]-5-hydroxy-6-methyl-3-pyridinyl}methyl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C26H41NO18

{4-[(β-D-Glucopyranosyloxy)methyl]-5-hydroxy-6-methyl-3-pyridinyl}methyl 4-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC26H41NO18
  • Average mass655.600 Da
  • Monoisotopic mass655.232361 Da
  • ChemSpider ID2340140

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

{4-[(β-D-Glucopyranosyloxy)methyl]-5-hydroxy-6-methyl-3-pyridinyl}methyl 4-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
{4-[(β-D-Glucopyranosyloxy)methyl]-5-hydroxy-6-methyl-3-pyridinyl}methyl-4-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-β-D-Glucopyranosyl-β-D-glucopyranoside de {4-[(β-D-glucopyranosyloxy)méthyl]-5-hydroxy-6-méthyl-3-pyridinyl}méthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (4-((β-D-glucopyranosyloxy)methyl)-5-hydroxy-6-methyl-3-pyridinyl)methyl 4-O-β-D-glucopyranosyl-
β-D-Glucopyranoside, [4-[(β-D-glucopyranosyloxy)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl 4-O-β-D-glucopyranosyl- [ACD/Index Name]
116169-15-4 [RN]
4-Gcbpd
4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1024.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.7±3.0 kJ/mol
Flash Point: 573.1±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.85
ACD/LogD (pH 5.5): -4.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 311 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 114.6±5.0 dyne/cm
Molar Volume: 379.7±5.0 cm3

Click to predict properties on the Chemicalize site


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