ChemSpider 2D Image | MFCD00070623 | C18H32O16

MFCD00070623

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID388737

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

222-149-2 [EINECS]
D-Glucopyranose, O-α-D-glucopyranosyl-(1->6)-O-α-D-glucopyranosyl-(1->6)- [ACD/Index Name]
Isomaltotriose
Isomaltotriose, DP3
MFCD00070623
α-D-Glucopyranosyl-(1->6)-α-D-glucopyranosyl-(1->6)-D-glucopyranose [ACD/IUPAC Name]
α-D-Glucopyranosyl-(1->6)-α-D-glucopyranosyl-(1->6)-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Glucopyranosyl-(1->6)-α-D-glucopyranosyl-(1->6)-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucosyl-[1->;6]-α-D-glucosyl-[1->6]-D-glucose
&α;-D-glucopyranosyl-(1→6)-&α;-D-glucopyranosyl-(1→6)-D-glucose
More...

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

C02160 [DBID]
  • Miscellaneous

    • Chemical Class:

      A glucotriose consisting of two alpha-D-glucopyranose residues and a D-glucopyranose residue joined in sequence by (1->6) glycosidic bonds. ChEBI CHEBI:27649

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

Density: 1.8±0.1 g/cm3
Boiling Point: 856.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.5±6.0 kJ/mol
Flash Point: 471.9±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: -3.77
ACD/LogD (pH 5.5): -4.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.51
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