2,2',2'',2'''-(Pentane-1,5-diyldinitrilo)tetraacetic acid
Basic information
- CAS
1798-14-7- Standard SMILES
O=C(O)CN(CCCCCN(CC(=O)O)CC(=O)O)CC(=O)O- InChIKey
RFPMBNQRCCSCMH-UHFFFAOYSA-N- Molecular formula
- C13H22N2O8
- Average molar mass
- 334.32 g/mol
- Monoisotopic mass
- 334.13761566
Names & identifiers
- Preferred name
- 2,2',2'',2'''-(Pentane-1,5-diyldinitrilo)tetraacetic acid
- IUPAC
- 2-[5-[bis(carboxymethyl)amino]pentyl-(carboxymethyl)amino]acetic acid
Names & synonyms
1798-14-7DTXSID405454202,2',2'',2'''-(Pentane-1,5-diyldinitrilo)tetraacetic acidRefChem:241930DTXCID20496204Glycine, N,N'-1,5-pentanediylbis[N-(carboxymethyl)-SCHEMBL3110832,2',2'',2'''-(Pentane-1,5-diylbis(azanetriyl))tetraacetic acid2-[5-[bis(carboxymethyl)amino]pentyl-(carboxymethyl)amino]acetic acidpentamethylenedinitrilotetraacetic acid
Database identifiers
- CAS
1798-14-7- PubChem CID
- 13629002
- DTXSID
DTXSID40545420- Nikkaji
- J1.151.994F
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 356
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Compound notes
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