ChemSpider 2D Image | 4-O-(4,6-Dideoxy-4-{[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-alpha-L-glucopyranosyl)-L-glucose | C19H33NO13

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

  • Molecular FormulaC19H33NO13
  • Average mass483.464 Da
  • Monoisotopic mass483.195190 Da
  • ChemSpider ID111313871

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

4-O-(4,6-Dideoxy-4-{[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-L-glucopyranosyl)-L-glucose [ACD/IUPAC Name]
4-O-(4,6-Didesoxy-4-{[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-L-glucopyranosyl)-L-glucose [German] [ACD/IUPAC Name]
4-O-(4,6-Didésoxy-4-{[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}-α-L-glucopyranosyl)-L-glucose [French] [ACD/IUPAC Name]
L-Glucose, 4-O-[4,6-dideoxy-4-[[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-α-L-glucopyranosyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 890.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.1±6.0 kJ/mol
Flash Point: 492.6±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 108.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -2.07
ACD/LogD (pH 5.5): -3.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 250 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 102.3±5.0 dyne/cm
Molar Volume: 294.8±5.0 cm3

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