ChemSpider 2D Image | 4-O-(4,6-DIDEOXY-4-{[4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-BETA-D-LYXO-HEXOPYRANOSYL)-ALPHA-D-ERYTHRO-HEXOPYRANOSE | C19H33NO13

4-O-(4,6-DIDEOXY-4-{[4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-β-D-LYXO-HEXOPYRANOSYL)-α-D-ERYTHRO-HEXOPYRANOSE

  • Molecular FormulaC19H33NO13
  • Average mass483.464 Da
  • Monoisotopic mass483.195190 Da
  • ChemSpider ID26329852
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

4-O-(4,6-Dideoxy-4-{[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-β-D-galactopyranosyl)-α-L-idopyranose [ACD/IUPAC Name]
4-O-(4,6-DIDEOXY-4-{[4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-β-D-LYXO-HEXOPYRANOSYL)-α-D-ERYTHRO-HEXOPYRANOSE
4-O-(4,6-Didesoxy-4-{[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-β-D-galactopyranosyl)-α-L-idopyranose [German] [ACD/IUPAC Name]
4-O-(4,6-Didésoxy-4-{[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}-β-D-galactopyranosyl)-α-L-idopyranose [French] [ACD/IUPAC Name]
α-L-Idopyranose, 4-O-[4,6-dideoxy-4-[[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-β-D-galactopyranosyl]- [ACD/Index Name]
(2R,3R,4R,5S,6S)-5-{[(2S,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-{[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol

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

Density: 1.7±0.1 g/cm3
Boiling Point: 797.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.2±6.0 kJ/mol
Flash Point: 436.3±32.9 °C
Index of Refraction: 1.676
Molar Refractivity: 107.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 11
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.58
ACD/LogD (pH 5.5): -3.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 106.4±5.0 dyne/cm
Molar Volume: 285.6±5.0 cm3

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