ChemSpider 2D Image | 4-O-(4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-(alpha-D-glucopyranosyloxy)-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-alpha-D-glucopyranosyl)-D-glucopyranose | C25H43NO18

4-O-(4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-(α-D-glucopyranosyloxy)-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl)-D-glucopyranose

  • Molecular FormulaC25H43NO18
  • Average mass645.605 Da
  • Monoisotopic mass645.247986 Da
  • ChemSpider ID8434131

  • defined stereocentres - 18 of 19 defined stereocentres

More details:

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

4-O-(4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-(α-D-glucopyranosyloxy)-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl)-D-glucopyranose [ACD/IUPAC Name]
4-O-(4,6-Didesoxy-4-{[(1S,4R,5R,6S)-4-(α-D-glucopyranosyloxy)-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl)-D-glucopyranose [German] [ACD/IUPAC Name]
4-O-(4,6-Didésoxy-4-{[(1S,4R,5R,6S)-4-(α-D-glucopyranosyloxy)-5,6-dihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}-α-D-glucopyranosyl)-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 4-O-[4,6-dideoxy-4-[[(1S,4R,5R,6S)-4-(α-D-glucopyranosyloxy)-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-α-D-glucopyranosyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 978.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.7±6.0 kJ/mol
Flash Point: 545.8±34.3 °C
Index of Refraction: 1.689
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 19
#H bond donors: 14
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.62
ACD/LogD (pH 5.5): -4.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 321 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 114.6±5.0 dyne/cm
Molar Volume: 369.8±5.0 cm3

Click to predict properties on the Chemicalize site


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