ChemSpider 2D Image | Alexa Fluor 594 meta-isomer | C39H37N3O13S2

Alexa Fluor 594 meta-isomer

  • Molecular FormulaC39H37N3O13S2
  • Average mass819.853 Da
  • Monoisotopic mass819.176758 Da
  • ChemSpider ID21865854

More details:






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

[6-(2-Carboxy-4-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}phenyl)-1,2,2,10,10,11-hexamethyl-8-(sulfomethyl)-10,11-dihydro-2H-pyrido[3',2':6,7]chromeno[3,2-g]chinolin-1-ium-4-yl]methansulfonat [German] [ACD/IUPAC Name]
[6-(2-Carboxy-4-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}phényl)-1,2,2,10,10,11-hexaméthyl-8-(sulfométhyl)-10,11-dihydro-2H-pyrido[3',2':6,7]chroméno[3,2-g]quinoléin-1-ium-4-yl]méthanesulfonate [French] [ACD/IUPAC Name]
[6-(2-Carboxy-4-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}phenyl)-1,2,2,10,10,11-hexamethyl-8-(sulfomethyl)-10,11-dihydro-2H-pyrido[3',2':6,7]chromeno[3,2-g]quinolin-1-ium-4-yl]methanesulfonate [ACD/IUPAC Name]
2H-Pyrano[3,2-g:5,6-g']diquinolinium, 6-[2-carboxy-4-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl]-10,11-dihydro-1,2,2,10,10,11-hexamethyl-4,8-bis(sulfomethyl)-, inner salt [ACD/Index Name]
Alexa Fluor 594 meta-isomer
[6-(2-carboxy-4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}phenyl)-1,2,2,10,10,11-hexamethyl-8-(sulfomethyl)-10,11-dihydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium-4-yl]methanesulfonate
295348-87-7 [RN]
Alexa Fluor 594 ortho-isomer
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:51249
TFAX 594, SE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 9
#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: 245 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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