ChemSpider 2D Image | (1Z,2S)-5-(beta-D-Allopyranosyloxy)-1-{(2Z)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylate | C24H26N2O13

(1Z,2S)-5-(β-D-Allopyranosyloxy)-1-{(2Z)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylate

  • Molecular FormulaC24H26N2O13
  • Average mass550.469 Da
  • Monoisotopic mass550.143494 Da
  • ChemSpider ID4884433

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1Z,2S)-5-(β-D-Allopyranosyloxy)-1-{(2Z)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinyliden]ethyliden}-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylat [German] [ACD/IUPAC Name]
(1Z,2S)-5-(β-D-Allopyranosyloxy)-1-{(2Z)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylate [ACD/IUPAC Name]
(1Z,2S)-5-(β-D-Allopyranosyloxy)-1-{(2Z)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidène]éthylidène}-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylate [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (1Z,2S)-2-carboxy-1-[(2Z)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene]ethylidene]-2,3-dihydro-6-hydroxy-1H-indolium-5-yl, inner salt [ACD/Index Name]

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

Density:
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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:

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