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2-Carboxy-1-[2-(2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene)ethylidene]-5-[(2-O-hexopyranuronosylhexopyranosyl)oxy]-2,3-dihydro-1H-indol-1-ium-6-olate

Base Information
  • Chemical Name:2-Carboxy-1-[2-(2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene)ethylidene]-5-[(2-O-hexopyranuronosylhexopyranosyl)oxy]-2,3-dihydro-1H-indol-1-ium-6-olate
  • CAS No.:15167-84-7
  • Molecular Formula:C30H34N2O19
  • Molecular Weight:726.59
  • Hs Code.:
  • DSSTox Substance ID:DTXSID50934326
  • Nikkaji Number:J139.428B
  • Mol file:15167-84-7.mol
2-Carboxy-1-[2-(2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene)ethylidene]-5-[(2-O-hexopyranuronosylhexopyranosyl)oxy]-2,3-dihydro-1H-indol-1-ium-6-olate

Synonyms:DTXSID50934326;(S)-4-(2-((S)-2-Carboxy-5-(((2S,3R,4S,5S,6R)-3-(((2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-hydroxyindolin-1-yl)vinyl)-2,3-dihydropyridine-2,6-dicarboxylic acid;2-Carboxy-1-[2-(2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene)ethylidene]-5-[(2-O-hexopyranuronosylhexopyranosyl)oxy]-2,3-dihydro-1H-indol-1-ium-6-olate

Suppliers and Price of 2-Carboxy-1-[2-(2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene)ethylidene]-5-[(2-O-hexopyranuronosylhexopyranosyl)oxy]-2,3-dihydro-1H-indol-1-ium-6-olate
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
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  • Chemicals and raw materials
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Total 9 raw suppliers
Chemical Property of 2-Carboxy-1-[2-(2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene)ethylidene]-5-[(2-O-hexopyranuronosylhexopyranosyl)oxy]-2,3-dihydro-1H-indol-1-ium-6-olate
Chemical Property:
  • PSA:343.33000 
  • LogP:-4.37370 
  • XLogP3:-2.6
  • Hydrogen Bond Donor Count:11
  • Hydrogen Bond Acceptor Count:21
  • Rotatable Bond Count:11
  • Exact Mass:726.17557686
  • Heavy Atom Count:51
  • Complexity:1440
Purity/Quality:

98%Min *data from raw suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C(=O)O)C(=O)O)C(=O)O
  • Isomeric SMILES:C1[C@H](N=C(C=C1/C=C/N2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C(=O)O)C(=O)O)C(=O)O
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