Basic information
- CAS
63651-93-4- Standard SMILES
O=C(O)CN(Cc1ccccc1O)CC(O)CN(CC(=O)O)Cc1ccccc1O- InChIKey
RTHRFGXUVDBBLZ-UHFFFAOYSA-N- Molecular formula
- C21H26N2O7
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.17400117
Names & identifiers
- Preferred name
- Glycine, N,N'-(2-hydroxy-1,3-propanediyl)bis(N-((2-hydroxyphenyl)methyl)-
- IUPAC
- 2-[[3-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxypropyl]-[(2-hydroxyphenyl)methyl]amino]acetic acid
Names & synonyms
BRN 6247933GLYCINE, N,N'-(2-HYDROXY-1,3-PROPANEDIYL)BIS(N-((2-HYDROXYPHENYL)METHYL)-63651-93-4DTXSID70213024N,N'-(2-Hydroxy-1,3-propanediyl)bis(N-((2-hydroxyphenyl)methyl)glycine)N,N'-Bis(2-hydroxybenzyl)-2-hydroxypropylene-1,3-diamine-N,N'-diacetic acidRefChem:346294DTXCID70135515CHEMBL20737SCHEMBL112456522,2'-[(2-Hydroxypropane-1,3-diyl)bis{[(2-hydroxyphenyl)methyl]azanediyl}]diacetic acid
Database identifiers
- CAS
63651-93-4- PubChem CID
- 44589
- DTXSID
DTXSID70213024- ChEMBL
CHEMBL20737
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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