ChemSpider 2D Image | N-[4-HYDROXYMETHYL-CYCLOHEXAN-6-YL-1,2,3-TRIOL]-4,6-DIDEOXY-4-AMINOGLUCOPYRANOSIDE | C13H23NO8

N-[4-HYDROXYMETHYL-CYCLOHEXAN-6-YL-1,2,3-TRIOL]-4,6-DIDEOXY-4-AMINOGLUCOPYRANOSIDE

  • Molecular FormulaC13H23NO8
  • Average mass321.324 Da
  • Monoisotopic mass321.142365 Da
  • ChemSpider ID26329667

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4,6-Dideoxy-4-{[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-β-L-glucopyranose [ACD/IUPAC Name]
4,6-Didesoxy-4-{[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-β-L-glucopyranose [German] [ACD/IUPAC Name]
4,6-Didésoxy-4-{[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}-β-L-glucopyranose [French] [ACD/IUPAC Name]
N-[4-HYDROXYMETHYL-CYCLOHEXAN-6-YL-1,2,3-TRIOL]-4,6-DIDEOXY-4-AMINOGLUCOPYRANOSIDE
β-L-Glucopyranose, 4,6-dideoxy-4-[[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]- [ACD/Index Name]
(2S,3S,4R,5R,6S)-6-methyl-5-{[(1R,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxane-2,3,4-triol
4-deoxy-4-((5-hydroxymethyl-2,3,4-trihydroxycyclohex-5,6-enyl)amino)fructose

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

Density: 1.6±0.1 g/cm3
Boiling Point: 588.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 309.7±30.1 °C
Index of Refraction: 1.657
Molar Refractivity: 73.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.63
ACD/LogD (pH 5.5): -2.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.22
Polar Surface Area: 163 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 94.5±5.0 dyne/cm
Molar Volume: 200.4±5.0 cm3

Click to predict properties on the Chemicalize site


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