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(Hydroxyethylenedinitrilo)tetraacetic acid

HCID 62047
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Basic information

CAS
40474-83-7
Standard SMILES
O=C(O)CN(CC(=O)O)CC(O)N(CC(=O)O)CC(=O)O
InChIKey
DYWPMNMUNTZNPU-UHFFFAOYSA-N
Molecular formula
C10H16N2O9
Average molar mass
308.24 g/mol
Monoisotopic mass
308.08558009

Names & identifiers

Preferred name
(Hydroxyethylenedinitrilo)tetraacetic acid
IUPAC
2-[[2-[bis(carboxymethyl)amino]-2-hydroxyethyl]-(carboxymethyl)amino]acetic acid

Names & synonyms

(Hydroxyethylenedinitrilo)tetraacetic acidSCHEMBL78809DTXSID208663272,2',2'',2'''-[(1-hydroxyethane-1,2-diyl)dinitrilo]tetraacetic acid40474-83-7

Database identifiers

CAS
40474-83-7
PubChem CID
62047
DTXSID
DTXSID20866327
Nikkaji
J2.264.327D

Properties

Computed structural properties

XLogP
-6.4
Topological polar surface area
176 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
11
Rotatable bonds
11
Heavy atoms
21
Formal charge
0
Complexity
379

Related reactions

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Compound notes

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