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

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

  • Molecular FormulaC31H53NO23
  • Average mass807.745 Da
  • Monoisotopic mass807.300842 Da
  • ChemSpider ID26328748

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-{[α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranose [ACD/IUPAC Name]
4,6-Dideoxy-4-{[(1s,4r,5r,6s)-4-{[α-D-Glucopyranosyl-(1->4)-α-D-Glucopyranosyl-(1->4)-α-D-Glucopyranosyl]oxy}-5,6-Dihydroxy-3-(Hydroxymethyl)cyclohex-2-En-1-Yl]amino}-α-D-Glucopyranose
4,6-Didesoxy-4-{[(1S,4R,5R,6S)-4-{[α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranos e [German] [ACD/IUPAC Name]
4,6-Didésoxy-4-{[(1S,4R,5R,6S)-4-{[α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}-α-D-glucopyranos e [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 4,6-dideoxy-4-[[(1S,4R,5R,6S)-4-[[O-α-D-glucopyranosyl-(1->4)-O-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl]oxy]-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]a mino]- [ACD/Index Name]
QV4 [WLN]

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: -6.25
ACD/LogD (pH 5.5): -7.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.72
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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