ChemSpider 2D Image | (1E,2R)-1-[(2E)-2-(2,6-Dicarboxy-2,3-dihydro-4(1H)-pyridinylidene)ethylidene]-5-(alpha-D-glucopyranosyloxy)-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylate | C24H26N2O13

(1E,2R)-1-[(2E)-2-(2,6-Dicarboxy-2,3-dihydro-4(1H)-pyridinylidene)ethylidene]-5-(α-D-glucopyranosyloxy)-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylate

  • Molecular FormulaC24H26N2O13
  • Average mass550.469 Da
  • Monoisotopic mass550.143494 Da
  • ChemSpider ID57524990

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1E,2R)-1-[(2E)-2-(2,6-Dicarboxy-2,3-dihydro-4(1H)-pyridinyliden)ethyliden]-5-(α-D-glucopyranosyloxy)-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylat [German] [ACD/IUPAC Name]
(1E,2R)-1-[(2E)-2-(2,6-Dicarboxy-2,3-dihydro-4(1H)-pyridinylidene)ethylidene]-5-(α-D-glucopyranosyloxy)-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylate [ACD/IUPAC Name]
(1E,2R)-1-[(2E)-2-(2,6-Dicarboxy-2,3-dihydro-4(1H)-pyridinylidène)éthylidène]-5-(α-D-glucopyranosyloxy)-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylate [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1E,2R)-2-carboxy-1-[(2E)-2-(2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene)ethylidene]-2,3-dihydro-6-hydroxy-1H-indolium-5-yl, inner salt [ACD/Index Name]
37279-84-8 [RN]
BETALAINS

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 249 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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