ChemSpider 2D Image | 4-Deoxy-4-{[(1R,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-D-glucopyranose | C25H43NO19

4-Deoxy-4-{[(1R,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-D-glucopyranose

  • Molecular FormulaC25H43NO19
  • Average mass661.604 Da
  • Monoisotopic mass661.242920 Da
  • ChemSpider ID8874886

  • defined stereocentres - 18 of 19 defined stereocentres

More details:

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

4-Deoxy-4-{[(1R,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-D-glucopyranose [ACD/IUPAC Name]
4-Desoxy-4-{[(1R,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-D-glucopyranose [German] [ACD/IUPAC Name]
4-Désoxy-4-{[(1R,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, O-4-deoxy-4-[[(1R,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->4)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1017.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.3±6.0 kJ/mol
Flash Point: 569.2±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 20
#H bond donors: 15
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.72
ACD/LogD (pH 5.5): -5.81
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: 341 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 125.0±5.0 dyne/cm
Molar Volume: 367.0±5.0 cm3

Click to predict properties on the Chemicalize site


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