Basic information
- CAS
52320-85-1- Standard SMILES
O=NN(CCCl)C(=O)N[C@@H](CCC(=O)O)C(=O)O- InChIKey
AJQMCEMSWCGRRN-YFKPBYRVSA-N- Molecular formula
- C8H12ClN3O6
- Average molar mass
- 281.65 g/mol
- Monoisotopic mass
- 281.0414628
Names & identifiers
- Preferred name
- Glutaric acid, 2-(3-(2-chloroethyl)-3-nitrosoureido)-
- IUPAC
- (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]pentanedioic acid
Names & synonyms
Glutaric acid, 2-(3-(2-chloroethyl)-3-nitrosoureido)-N-[[(2-Chloroethyl)nitrosoamino]carbonyl]-L-glutamic acidL-Glutamic acid, N-(((2-chloroethyl)nitrosoamino)carbonyl)-L-Glutamic acid, N-[[(2-chloroethyl)nitrosoamino]carbonyl]-NSC 163478NSC-1634782-(3-(2-Chloroethyl)-3-nitrosoureido)glutaric acidn-[(2-chloroethyl)(nitroso)carbamoyl]-l-glutamic acidBW2EXF9EDZ
Database identifiers
- CAS
52320-85-1- PubChem CID
- 98756
- DTXSID
DTXSID50875745- UNII
- BW2EXF9EDZ
- Nikkaji
- J1.569.924H
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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