ChemSpider 2D Image | Cellohexaose | C36H62O31

Cellohexaose

  • Molecular FormulaC36H62O31
  • Average mass990.859 Da
  • Monoisotopic mass990.327515 Da
  • ChemSpider ID389776

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

Cellohexaose
β-D-Glucopyranose, O-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->4)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranose [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranose [French] [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolCellohexaose
2478-35-5 [RN]
BGC-(4-1)BGC-(4-1)BGC-(4-1)BGC-(4-1)BGC-(4-1)BGC
Ce6
GLC-(4-1)GLC-(4-1)GLC-(4-1)GLC-(4-1)GLC-(4-1)GLC
More...

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

C06217 [DBID]
  • Miscellaneous

    • Chemical Class:

      A D-cellohexaose in which the carbon bearing the anomeric hydroxy group has beta configuration. ChEBI CHEBI:49533

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1307.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 221.2±6.0 kJ/mol
Flash Point: 744.7±34.3 °C
Index of Refraction: 1.705
Molar Refractivity: 205.7±0.4 cm3
#H bond acceptors: 31
#H bond donors: 20
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -6.08
ACD/LogD (pH 5.5): -7.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 506 Å2
Polarizability: 81.5±0.5 10-24cm3
Surface Tension: 133.2±5.0 dyne/cm
Molar Volume: 529.3±5.0 cm3

Click to predict properties on the Chemicalize site


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