ChemSpider 2D Image | Cellobiosan | C12H20O10

Cellobiosan

  • Molecular FormulaC12H20O10
  • Average mass324.281 Da
  • Monoisotopic mass324.105652 Da
  • ChemSpider ID57621546

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R)-3,4-Dihydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R)-3,4-Dihydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R)-3,4-Dihydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]oxy}-6-(hydroxyméthyl)tétrahydro-2H-pyrane-3,4,5-triol (non-preferred name) [French] [ACD/IUPAC Name]
35405-71-1 [RN]
Cellobiosan
1,6-anhydro-4-O-?-D-glucopyranosyl-?-D-glucopyranose
1,6-anhydro-4-O-β-D-glucopyranosyl-β-D-glucopyranose

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

Density: 1.7±0.1 g/cm3
Boiling Point: 640.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.3±6.0 kJ/mol
Flash Point: 341.1±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 67.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -2.97
ACD/LogD (pH 5.5): -2.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 97.6±5.0 dyne/cm
Molar Volume: 186.2±5.0 cm3

Click to predict properties on the Chemicalize site


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