Einecs 285-858-6

HCID 44150397

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Basic information

CAS: 85153-74-8
Standard SMILES: C[C@@H](O)[C@H](N)C(=O)O.O=C1CCC(C(=O)O)N1
InChIKey: DJKGCEGBSKHVHU-RCROYASPSA-N
Molecular formula: C9H16N2O6
Average molar mass: 248.23 g/mol
Monoisotopic mass: 248.10083623

Names & identifiers

Preferred name: Einecs 285-858-6
IUPAC: (2S,3R)-2-amino-3-hydroxybutanoic acid;5-oxopyrrolidine-2-carboxylic acid

Names & synonyms

EINECS 285-858-685153-74-85-Oxo-DL-proline, compound with L-threonine (1:1)DTXSID1010055935-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--L-threonine (1/1)5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--threonine (1/1)

Database identifiers

CAS: 85153-74-8
PubChem CID: 44150397
DTXSID: DTXSID101005593
EC Number: 285-858-6

Properties

Computed structural properties

Topological polar surface area: 150 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 248

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