ChemSpider 2D Image | (2E)-2-[(2E,4E)-5-{7-[Bis(3-sulfonatopropyl)amino]-2-(2-methyl-2-propanyl)-4-chromeniumyl}-2,4-pentadien-1-ylidene]-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-5-indolinesulfonate | C40H49N2O15S4

(2E)-2-[(2E,4E)-5-{7-[Bis(3-sulfonatopropyl)amino]-2-(2-methyl-2-propanyl)-4-chromeniumyl}-2,4-pentadien-1-ylidene]-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-5-indolinesulfonate

  • Molecular FormulaC40H49N2O15S4
  • Average mass926.083 Da
  • Monoisotopic mass925.203247 Da
  • ChemSpider ID26333085

  • Charge - Charge

More details:

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

(2E)-2-[(2E,4E)-5-{7-[Bis(3-sulfonatopropyl)amino]-2-(2-methyl-2-propanyl)-4-chromeniumyl}-2,4-pentadien-1-yliden]-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-5-indolinsulfonat [German] [ACD/IUPAC Name]
(2E)-2-[(2E,4E)-5-{7-[Bis(3-sulfonatopropyl)amino]-2-(2-methyl-2-propanyl)-4-chromeniumyl}-2,4-pentadien-1-ylidene]-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-5-indolinesulfonate [ACD/IUPAC Name]
(2E)-2-[(2E,4E)-5-{7-[Bis(3-sulfonatopropyl)amino]-2-(2-méthyl-2-propanyl)-4-chroméniumyl}-2,4-pentadién-1-ylidène]-3-(3-carboxypropyl)-3-méthyl-1-(3-sulfonatopropyl)-5-indolinesulfonate [French] [ACD/IUPAC Name]
1-Benzopyrylium, 7-[bis(3-sulfopropyl)amino]-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]-2-(1,1-dimethylethyl)-, inner s alt, ion(3-) [ACD/Index Name]
2-(5-{7-[bis(3-sulfonatopropyl)amino]-2-tert-butylchromenium-4-yl}penta-2,4-dien-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
DY-734 trianion
DY-734(3-)
  • Miscellaneous

    • Chemical Class:

      An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 7-[bis(3-sulfopropyl)amino]-2-tert-butyl-4-{5-[3-(3-carboxypropyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)-1,3-dihydro-2 H-indol-2-ylidene]penta-1,3-dien-1-yl}chromenium. ChEBI CHEBI:63297

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: 17
#H bond donors: 5
#Freely Rotating Bonds: 22
#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: 319 Å2
Polarizability:
Surface Tension:
Molar Volume:

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