ChemSpider 2D Image | 4,6-Dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-alpha-D-threo-hexopyranosyl-(1->4)-alpha-D-threo-hexopyranosyl-(1->4)-D-threo-hexopyranose | C25H43NO18

4,6-Dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-threo-hexopyranosyl-(1->4)-α-D-threo-hexopyranosyl-(1->4)-D-threo-hexopyranose

  • Molecular FormulaC25H43NO18
  • Average mass645.605 Da
  • Monoisotopic mass645.247986 Da
  • ChemSpider ID78433534
  • defined stereocentres - 8 of 19 defined stereocentres


More details:






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

4,6-Dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-threo-hexopyranosyl-(1->4)-α-D-threo-hexopyranosyl-(1->4)-D-threo-hexopyranose [ACD/IUPAC Name]
4,6-Didesoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-threo-hexopyranosyl-(1->4)-α-D-threo-hexopyranosyl-(1->4)-D-threo-hexopyranose [German] [ACD/IUPAC Name]
4,6-Didésoxy-4-{[4,5,6-trihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}-α-D-thréo-hexopyranosyl-(1->4)-α-D-thréo-hexopyranosyl-(1->4)-D-thréo-hexopyranose [French] [ACD/IUPAC Name]
D-threo-Hexopyranose, O-4,6-dideoxy-4-[[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-α-D-threo-hexopyranosyl-(1->4)-O-α-D-threo-hexopyranosyl-(1->4)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 971.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.5±6.0 kJ/mol
Flash Point: 541.4±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: -4.16
ACD/LogD (pH 5.5): -5.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.76
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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