ChemSpider 2D Image | 4-O-(4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(alpha-D-glucopyranosyl)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-alpha-D-glucopyranosyl)-alpha-D-glucopyranose | C31H53NO23

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

  • Molecular FormulaC31H53NO23
  • Average mass807.745 Da
  • Monoisotopic mass807.300842 Da
  • ChemSpider ID3571969

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

4-O-(4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(α-D-glucopyranosyl)-α-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl)-α-D-glucopyranose [ACD/IUPAC Name]
4-O-(4,6-Didesoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(α-D-glucopyranosyl)-α-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl)-α-D-glucopyranose [German] [ACD/IUPAC Name]
4-O-(4,6-Didésoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(α-D-glucopyranosyl)-α-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}-α-D-glucopyranosyl)-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 4-O-[4,6-dideoxy-4-[[(1S,4R,5R,6S)-4-[(4-O-α-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-α-D-glucopyranosyl]- [ACD/Index Name]
4-O-(4,6-DIDEOXY-4-{[4-[(4-O-HEXOPYRANOSYLHEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}HEXOPYRANOSYL)HEXOPYRANOSE
4-O-(4,6-DIDEOXY-4-{[4-[(4-O-α-D-ERYTHRO-HEXOPYRANOSYL-α-D-ERYTHRO-HEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-β-D-LYXO-HEXOPYRANOSYL)-α-D-ARABINO-HEXOPYRANOSE
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GLC-(4-1)AGL-(4-1)HMC-(4-1)GLC-(4-1)GLC

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1129.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 188.0±6.0 kJ/mol
Flash Point: 636.9±34.3 °C
Index of Refraction: 1.699
Molar Refractivity: 174.9±0.4 cm3
#H bond acceptors: 24
#H bond donors: 17
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -4.17
ACD/LogD (pH 5.5): -5.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 400 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 120.7±5.0 dyne/cm
Molar Volume: 453.3±5.0 cm3

Click to predict properties on the Chemicalize site


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