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

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

  • Molecular FormulaC25H43NO18
  • Average mass645.605 Da
  • Monoisotopic mass645.247986 Da
  • ChemSpider ID57621544

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

4,6-Dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-D-fructose [ACD/IUPAC Name]
4,6-Didesoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-D-fructose [German] [ACD/IUPAC Name]
4,6-Didésoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-D-fructose [French] [ACD/IUPAC Name]
D-Fructose, O-4,6-dideoxy-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-α-D-glucopyranosyl-(1->4)-O-α-D-glucopyranosyl-(1->4)- [ACD/Index Name]
1013621-79-8 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1069.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 177.3±6.0 kJ/mol
Flash Point: 600.6±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 14
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -2.49
ACD/LogD (pH 5.5): -4.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 329 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 111.3±5.0 dyne/cm
Molar Volume: 378.2±5.0 cm3

Click to predict properties on the Chemicalize site


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