ChemSpider 2D Image | Calcein AM | C46H46N2O23

Calcein AM

  • Molecular FormulaC46H46N2O23
  • Average mass994.857 Da
  • Monoisotopic mass994.249146 Da
  • ChemSpider ID346571

More details:

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

148504-34-1 [RN]
2,2',2'',2'''-[(3',6'-Diacétoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(méthylènenitrilo)]tetraacétate de tétrakis(acétoxyméthyle) [French] [ACD/IUPAC Name]
Calcein AM
Tetrakis(acetoxymethyl) 2,2',2'',2'''-[(3',6'-diacetoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(methylenenitrilo)]tetraacetate [ACD/IUPAC Name]
Tetrakis(acetoxymethyl)-2,2',2'',2'''-[(3',6'-diacetoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(methylennitrilo)]tetraacetat [German] [ACD/IUPAC Name]
(ACETYLOXY)METHYL 2-({2-[(ACETYLOXY)METHOXY]-2-OXOETHYL}[3',6'-BIS(ACETYLOXY)-2'-{[BIS({2-[(ACETYLOXY)METHOXY]-2-OXOETHYL})AMINO]METHYL}-3-OXOSPIRO[2-BENZOFURAN-1,9'-XANTHENE]-7'-YLMETHYL]AMINO)ACETATE
[({[3',6'-bis(acetyloxy)-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthene]-2',7'-diyl]bis(methylene)nitrilo}bis[(1-oxoethane-2,1-diyl)oxy]methylene)] tetraacetate
4',5'-bis(N,N-bis(carboxymethyl)aminomethyl)fluorescein acetoxymethyl ester
95%
acetoxymethyl 2-[[2-(acetoxymethoxy)-2-oxo-ethyl]-[[3',6'-diacetoxy-7'-[[bis[2-(acetoxymethoxy)-2-oxo-ethyl]amino]methyl]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-2'-yl]methyl]amino]acetate
More...

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

C11257 [DBID]
NCI60_032172 [DBID]
NSC689290 [DBID]
  • Miscellaneous

    • Chemical Class:

      An organic heteropentacyclic compound that is calcein in which all four carboxy group hydrogens have been substituted by (acetyloxy)methoxy groups and the hyrodgens of the two hydroxy groups have bee n substituted by acetyl groups. It is a a non-fluorescent probe cleaved to a fluorescent probe by non-specific intracellular esterases. ChEBI CHEBI:3303

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 982.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.4±3.0 kJ/mol
Flash Point: 548.1±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 231.7±0.4 cm3
#H bond acceptors: 25
#H bond donors: 0
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.87
ACD/KOC (pH 5.5): 1285.28
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 155.09
ACD/KOC (pH 7.4): 1287.13
Polar Surface Area: 305 Å2
Polarizability: 91.8±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 667.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement