ChemSpider 2D Image | beta-cellotriose | C18H32O16

β-cellotriose

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID389778

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

D-(+)-Cellotriose
β-cellotriose
β-D-Glucopyranose, 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-glucopyranose [ACD/IUPAC Name]
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-glucopyranose [French] [ACD/IUPAC Name]
(1->4)-β-D-glucan
(1->4)-β-D-glucopyranan
??-cellotriose
1,4-(1,3:1,4)-β-D-Glucan4-glucanohydrolase
More...

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

C06219 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 865.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.9±6.0 kJ/mol
Flash Point: 477.0±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -3.25
ACD/LogD (pH 5.5): -4.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 119.2±5.0 dyne/cm
Molar Volume: 278.7±5.0 cm3

Click to predict properties on the Chemicalize site


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