ChemSpider 2D Image | Gentianose | C18H32O16

Gentianose

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID105162

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-6-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Gentianose
I0ZQ61S45F
α-D-Glucopyranoside, β-D-fructofuranosyl O-β-D-glucopyranosyl-(1->6)- [ACD/Index Name]
β-D-Fructofuranosyl β-D-glucopyranosyl-(1->6)-α-D-glucopyranoside [ACD/IUPAC Name]
β-D-Fructofuranosyl-β-D-glucopyranosyl-(1->6)-α-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->6)-α-D-glucopyranoside de β-D-fructofuranosyle [French] [ACD/IUPAC Name]
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
[25954-44-3] [RN]
2-[3,4-Dihydroxy-2,5-di(hydroxymethyl)tetrahydro-2-furanyloxy]-6-(3,4,5-trihydroxy-6-hydroxymethyltetrahydro-2H-2-pyranyloxymethyl)t etrahydro-2H-3,4,5-pyrantriol
More...

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

C08239 [DBID]
CHEBI:28782 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A trisaccharide composed of <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranose, <stereo>alpha</stereo>-<stereo>D</stereo>-glucopyranose and <stereo>beta</stereo>-<stereo>D</stereo>-fructofuranose units. ChEBI CHEBI:28782
      A trisaccharide composed of beta-D-glucopyranose, alpha-D-glucopyranose and beta-D-fructofuranose ; units. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28782
      A trisaccharide composed of beta-D-glucopyranose, alpha-D-glucopyranose and beta-D-fructofuranose units. ChEBI CHEBI:28782

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

Density: 1.8±0.1 g/cm3
Boiling Point: 884.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.1±6.0 kJ/mol
Flash Point: 488.9±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.50
ACD/LogD (pH 5.5): -3.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 120.8±5.0 dyne/cm
Molar Volume: 277.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement