ChemSpider 2D Image | calcein | C30H26N2O13

calcein

  • Molecular FormulaC30H26N2O13
  • Average mass622.533 Da
  • Monoisotopic mass622.143494 Da
  • ChemSpider ID58589

More details:






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

1461-15-0 [RN]
2,2',2'',2'''-[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(methanediylnitrilo)]tetraacetic acid
2,2',2'',2'''-[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(methylenenitrilo)]tetraacetic acid [ACD/IUPAC Name]
2,2',2'',2'''-[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(methylennitrilo)]tetraessigsäure [German] [ACD/IUPAC Name]
215-957-1 [EINECS]
4573
Acide 2,2',2'',2'''-[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(méthylènenitrilo)]tetraacétique [French] [ACD/IUPAC Name]
calcein [Wiki]
oftasceine [INN]
oftasceinum [INN_la]
More...

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

C0875_SIGMA [DBID]
NCI60_002494 [DBID]
NSC 298193 [DBID]
NSC298193 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 952.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.3±3.0 kJ/mol
Flash Point: 530.0±34.3 °C
Index of Refraction: 1.775
Molar Refractivity: 148.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.56
ACD/LogD (pH 5.5): -3.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 119.8±5.0 dyne/cm
Molar Volume: 356.1±5.0 cm3

Click to predict properties on the Chemicalize site






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