ChemSpider 2D Image | D-Cellotriose | C18H32O16

D-Cellotriose

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID4450242

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

33404-34-1 [RN]
D-(+)-Cellotriose
D-Cellotriose
MFCD00069842 [MDL number]
&β;-D-glucopyranosyl-(1→4)-&β;-D-glucopyranosyl-(1→4)-D-glucose
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
(3R,4R,5S,6R)-5-(((2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4-triol
(3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol
(Glc-b-1,4)2-Glc
1,4-^b-D-Cellotriose
More...

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

100353 [DBID]
C1167_SIGMA [DBID]
CHEBI:3528 [DBID]
  • Miscellaneous

    • Chemical Class:

      A dextrin of varying length (two or more glucose monomers) resulting from cellulolysis, the breakdown of cellulose. ChEBI CHEBI:3523
      A glucotriose consisting of three ChEBI CHEBI:3528

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


Advertisement