ChemSpider 2D Image | (1S,2S,3R,4R,6S)-2,3-Dihydroxy-6-(hydroxymethyl)-4-{[(1S,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}cyclohexyl beta-D-glucopyranoside | C20H35NO13

(1S,2S,3R,4R,6S)-2,3-Dihydroxy-6-(hydroxymethyl)-4-{[(1S,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}cyclohexyl β-D-glucopyranoside

  • Molecular FormulaC20H35NO13
  • Average mass497.491 Da
  • Monoisotopic mass497.210846 Da
  • ChemSpider ID59700780

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1S,2S,3R,4R,6S)-2,3-Dihydroxy-6-(hydroxymethyl)-4-{[(1S,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}cyclohexyl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,2S,3R,4R,6S)-2,3-Dihydroxy-6-(hydroxymethyl)-4-{[(1S,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}cyclohexyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1S,2S,3R,4R,6S)-2,3-dihydroxy-6-(hydroxyméthyl)-4-{[(1S,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}cyclohexyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S,2S,3R,4R,6S)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]cyclohexyl [ACD/Index Name]
Validacin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 813.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.7±6.0 kJ/mol
Flash Point: 445.9±34.3 °C
Index of Refraction: 1.689
Molar Refractivity: 111.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 12
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -5.43
ACD/LogD (pH 5.5): -6.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 112.5±5.0 dyne/cm
Molar Volume: 293.0±5.0 cm3

Click to predict properties on the Chemicalize site


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