Calcein tetraethyl acid structure

Calcein tetraethyl acid

2-[[5'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methyl-(carboxymethyl)amino]acetic acid

Also Known As: Calcein tetraethyl acid|calcein|DCAF|STATOCALCEIN|Fluorescein-4',5'-bis(methyliminodiacetic acid)|2,2',2'',2'''-(((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-4',5'-diyl)bis(methylene))bis(azanetriyl))tetraacetic acid|2-[[5'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methyl-(carboxymethyl)amino]acetic acid|Fluorescein-4',5'-bis(methyliminodiaceticacid)|Glycine, N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-4',5'-diyl)bis(methylene)]bis[N-(carboxymethyl)-|I04-8814|4',5'-Bis[N,N-bis(carboxymethyl)aminomethyl]fluorescein|4',5'-Bis(N',N'-di-(carboxymethyl)aminomethyl)fluorescein, DCAF|Fluorescein Bis(methylene)]bis[N-(carboxymethyl)glycine] Sodium Salt (Technical Grade)|2,2',2'',2'''-(((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-4',5'-diyl)bis(methylene))bis(azanetriyl))tetraaceticacid|2,2',2'',2'''-[(3',6'-Dihydroxy-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthene]-4',5'-diyl)bis(methylenenitrilo)]tetraacetic acid|2-[[5'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-4'-yl]methyl-(carboxymethyl)amino]acetic acid|2-[[5-[[bis(carboxymethyl)amino]methyl]-3,6-dihydroxy-3-oxospiro[2-benzofuran-1,9-xanthene]-4-yl]methyl-(carboxymethyl)amino]acetic acid|2-{[(5'-{[bis(carboxymethyl)amino]methyl}-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-4'-yl)methyl](carboxymethyl)amino}acetic acid|4 inverted exclamation marka,5 inverted exclamation marka-Bis[N,N-bis(carboxymethyl)aminomethyl]fluorescein|Fluorescein-4 inverted exclamation marka,5 inverted exclamation marka-bis(methyliminodiacetic acid)|Glycine,N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-4',5'-diyl)bis(methylene)]bis[N-(carboxymethyl)-,calcium potassium salt (2:5:2)|N,N -[(3 ,6 -Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9 -[9H]xanthene]-4 ,5 -diyl)bis(methylene)]bis[N-(carboxymethyl)glycine]|N,N'-[(3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-4',5'-diyl)bis(methylene)]bis[N-(carboxymethyl)glycine Sodium Salt;

CAS: 36352-49-5
Molecular Formula C30H26N2O13
Molecular Weight 622.1435 g/mol
LogP 1.6082
Topological Polar Surface Area 231.67 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
Rotatable Bonds 12
Exact Mass 622.1435
Monoisotopic Mass 622.1435
Heavy Atoms 45
Complexity 1626.2839

Chemical Identifiers

CAS Number 36352-49-5
SMILES C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)CN(CC(=O)O)CC(=O)O)OC5=C3C=CC(=C5CN(CC(=O)O)CC(=O)O)O

Product Overview

Calcein tetraethyl acid (CAS 36352-49-5), with molecular formula C30H26N2O13 and molecular weight 622.1435 g/mol. IUPAC: 2-[[5'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methyl-(carboxymethyl)amino]acetic acid.

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