ChemSpider 2D Image | 4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-[(6-deoxy-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-gluco pyranose | C31H53NO22

4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-[(6-deoxy-α-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-gluco pyranose

  • Molecular FormulaC31H53NO22
  • Average mass791.746 Da
  • Monoisotopic mass791.305908 Da
  • ChemSpider ID394226

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-[(6-deoxy-α-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-gluco pyranose [ACD/IUPAC Name]
4,6-Didesoxy-4-{[(1S,4R,5R,6S)-4-[(6-desoxy-α-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glu copyranose [German] [ACD/IUPAC Name]
4,6-Didésoxy-4-{[(1S,4R,5R,6S)-4-[(6-désoxy-α-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glu copyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, O-4,6-dideoxy-4-[[(1S,4R,5R,6S)-4-[(6-deoxy-α-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-α-D-glucopyranosyl-(1->4)-O-α-D-glucopyr
 anosyl-(1->4)- [ACD/Index Name]
AB3
ACG
MODIFIED ACARBOSE PENTASACCHARIDE

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1088.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 180.7±6.0 kJ/mol
Flash Point: 612.1±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 173.4±0.4 cm3
#H bond acceptors: 23
#H bond donors: 16
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.83
ACD/LogD (pH 5.5): -5.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 380 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 112.4±5.0 dyne/cm
Molar Volume: 456.2±5.0 cm3

Click to predict properties on the Chemicalize site


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