7-Amino-3-iodomethyl-3-cephem-4-carboxylate

HCID 131719782
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Basic information

Standard SMILES
NC1C(=O)N2C(C(=O)[O-])=C(CI)CS[C@H]12
InChIKey
TYNQWNIJFGNOGQ-HWZXHQHMSA-M
Molecular formula
C8H8IN2O3S-
Average molar mass
339.13 g/mol
Monoisotopic mass
338.93004

Names & identifiers

Preferred name
7-Amino-3-iodomethyl-3-cephem-4-carboxylate
IUPAC
(6R)-7-amino-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Names & synonyms

TYNQWNIJFGNOGQ-HWZXHQHMSA-M7-amino-3-iodomethyl-3-cephem-4-carboxylate

Database identifiers

PubChem CID
131719782

Properties

Computed structural properties

XLogP
-1.9
Topological polar surface area
112 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
15

Related reactions

1 records
New reaction record

Compound notes

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