ChemSpider 2D Image | Alexa Fluor 514 meta-isomer | C31H27N3O13S2

Alexa Fluor 514 meta-isomer

  • Molecular FormulaC31H27N3O13S2
  • Average mass713.688 Da
  • Monoisotopic mass713.098511 Da
  • ChemSpider ID23107063

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)-9-iminio-2,2,4-trimethyl-12-sulfo-1,3,4,9-tetrahydro-2H-chromeno[3,2-g]chinolin-10-sulfonat [German] [ACD/IUPAC Name]
6-(2-Carboxy-4-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}phényl)-9-iminio-2,2,4-triméthyl-12-sulfo-1,3,4,9-tétrahydro-2H-chroméno[3,2-g]quinoléine-10-sulfonate [French] [ACD/IUPAC Name]
6-(2-Carboxy-4-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}phenyl)-9-iminio-2,2,4-trimethyl-12-sulfo-1,3,4,9-tetrahydro-2H-chromeno[3,2-g]quinoline-10-sulfonate [ACD/IUPAC Name]
Alexa Fluor 514 meta-isomer
Benzoic acid, 5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-2-(1,3,4,9-tetrahydro-9-imino-2,2,4-trimethyl-10,12-disulfo-2H-[1]benzopyrano[3,2-g]quinolin-6-yl)- [ACD/Index Name]
6-(2-carboxy-4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}phenyl)-9-iminio-2,2,4-trimethyl-12-sulfo-1,3,4,9-tetrahydro-2H-chromeno[3,2-g]quinoline-10-sulfonate
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:52666

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -4.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability:
Surface Tension:
Molar Volume:

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