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

Base Information

• Chemical Name: 2-[[5'-[[Bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methyl-(carboxymethyl)amino]acetic acid
• CAS No.: 36352-49-5
• Molecular Formula: C30H26 N2 O13 . 5/2 Ca . K
• Molecular Weight: 1523.6527
• European Community (EC) Number: 252-990-0
• DSSTox Substance ID: DTXSID00401917
• Nikkaji Number: J415.487H
• Wikidata: Q72478858
• Mol file: 36352-49-5.mol

Synonyms:207124-64-9;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;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;36352-49-5;Glycine, N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-4',5'-diyl)bis(methylene)]bis[N-(carboxymethyl)-;SCHEMBL13194784;DTXSID00401917;Fluorescein-4',5'-bis(methyliminodiaceticacid);2,2',2'',2'''-(((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-4',5'-diyl)bis(methylene))bis(azanetriyl))tetraaceticacid;N,N'-[(3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-4',5'-diyl)bis(methylene)]bis[N-(carboxymethyl)glycine]

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

Chemical Property:

• Boiling Point: 959 °C at 760 mmHg
• Flash Point: 533.8 °C
• PSA: 463.34000
• Density: g/cm³
• LogP: 4.56640
• XLogP3: -3.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 12
• Exact Mass: 622.14348889
• Heavy Atom Count: 45
• Complexity: 1070

Purity/Quality:

99% ^*data from raw suppliers

DIPOTASSIUM PENTACALCIUM DICALCEIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical 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