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 Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      orange crystals Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar L10255
      IRRITANT Matrix Scientific 076082
      Minimise contact. Oxford University Chemical Safety Data (No longer updated) More details

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





Feedback Form