calcein
2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetic acid
| Molecular Formula | C30H26N2O13 |
|---|---|
| Molecular Weight | 622.5 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 232.0 A2 |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 622.1435 |
| Heavy Atoms | 45 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 1461-15-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C(=C4)CN(CC(=O)O)CC(=O)O)O)OC5=C3C=C(C(=C5)O)CN(CC(=O)O)CC(=O)O |
| InChIKey | DEGAKNSWVGKMLS-UHFFFAOYSA-N |
📖 Product Overview
calcein (CAS: 1461-15-0) is a chemical compound with molecular formula C30H26N2O13 and molecular weight 622.5 g/mol. Its IUPAC systematic name is 2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetic acid.
DEGAKNSWVGKMLS-UHFFFAOYSA-N.
SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C(=C4)CN(CC(=O)O)CC(=O)O)O)OC5=C3C=C(C(=C5)O)CN(CC(=O)O)CC(=O)O.
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