ChemSpider 2D Image | 4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(6-deoxy-alpha-D-glucopyranosyl)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucop yranosyl-(1->4)-6-deoxy-beta-D-glucopyranose | C37H63NO26

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

  • Molecular FormulaC37H63NO26
  • Average mass937.887 Da
  • Monoisotopic mass937.363831 Da
  • ChemSpider ID396078

  • defined stereocentres - 29 of 29 defined stereocentres

More details:

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

4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(6-deoxy-α-D-glucopyranosyl)-α-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucop
 yranosyl-(1->4)-6-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
4,6-Didesoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(6-desoxy-α-D-glucopyranosyl)-α-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-gluc
 opyranosyl-(1->4)-6-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
4,6-Didésoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(6-désoxy-α-D-glucopyranosyl)-α-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-gluc
 opyranosyl-(1->4)-6-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-4,6-dideoxy-4-[[(1S,4R,5R,6S)-4-[[4-O-(6-deoxy-α-D-glucopyranosyl)-α-D-glucopyranosyl]oxy]-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-α-D-glucopyranos yl-(1->4)-O-α-D-glucopyranosyl-(1->4)-6-deoxy- [ACD/Index Name]
AB3
ABC
MODIFIED ACARBOSE HEXASACCHARIDE

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1189.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 199.0±6.0 kJ/mol
Flash Point: 673.3±34.3 °C
Index of Refraction: 1.683
Molar Refractivity: 205.6±0.4 cm3
#H bond acceptors: 27
#H bond donors: 18
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -5.66
ACD/LogD (pH 5.5): -6.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 439 Å2
Polarizability: 81.5±0.5 10-24cm3
Surface Tension: 111.3±5.0 dyne/cm
Molar Volume: 542.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement