ChemSpider 2D Image | (2E)-3-(3-Carboxypropyl)-2-[(2E,4E)-5-(9-ethyl-6,8,8-trimethyl-2-phenyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)-2,4-pentadien-1-ylidene]-3-methyl-1-(3-sulfonatopropyl)-5-indolinesulfonate | C44H47N2O9S2

(2E)-3-(3-Carboxypropyl)-2-[(2E,4E)-5-(9-ethyl-6,8,8-trimethyl-2-phenyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)-2,4-pentadien-1-ylidene]-3-methyl-1-(3-sulfonatopropyl)-5-indolinesulfonate

  • Molecular FormulaC44H47N2O9S2
  • Average mass811.982 Da
  • Monoisotopic mass811.272827 Da
  • ChemSpider ID23089899

  • Charge - Charge

More details:

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

(2E)-3-(3-Carboxypropyl)-2-[(2E,4E)-5-(9-ethyl-6,8,8-trimethyl-2-phenyl-8,9-dihydropyrano[3,2-g]chinolin-1-ium-4-yl)-2,4-pentadien-1-yliden]-3-methyl-1-(3-sulfonatopropyl)-5-indolinsulfonat [German] [ACD/IUPAC Name]
(2E)-3-(3-Carboxypropyl)-2-[(2E,4E)-5-(9-éthyl-6,8,8-triméthyl-2-phényl-8,9-dihydropyrano[3,2-g]quinoléin-1-ium-4-yl)-2,4-pentadién-1-ylidène]-3-méthyl-1-(3-sulfonatopropyl)-5-indolinesulfonate [French] [ACD/IUPAC Name]
(2E)-3-(3-Carboxypropyl)-2-[(2E,4E)-5-(9-ethyl-6,8,8-trimethyl-2-phenyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)-2,4-pentadien-1-ylidene]-3-methyl-1-(3-sulfonatopropyl)-5-indolinesulfonate [ACD/IUPAC Name]
Pyrano[3,2-g]quinolinium, 4-[(1E,3E,5E)-5-[3-(3-carboxypropyl)-1,3-dihydro-3-methyl-5-sulfo-1-(3-sulfopropyl)-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-9-ethyl-8,9-dihydro-6,8,8-trimethyl-2-phenyl-, inn er salt, ion(1-) [ACD/Index Name]
3-(3-carboxypropyl)-2-[5-(9-ethyl-6,8,8-trimethyl-2-phenyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)penta-2,4-dien-1-ylidene]-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
DY-776(1-)
  • Miscellaneous

    • Chemical Class:

      An anionic C5 cyanine-type compound having indoleinine and dihydropyrano[3,2-g]quinolinium substituents at either end. ChEBI CHEBI:52835

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: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#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: 188 Å2
Polarizability:
Surface Tension:
Molar Volume:

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