Basic information
- Standard SMILES
CC(O)C1C(=O)N2C(C(=O)O)=C(SC3COC(CN=[N+]=[N-])C3)C(C)C12- InChIKey
IULQOHHMRATOHB-UHFFFAOYSA-N- Molecular formula
- C15H20N4O5S
- Average molar mass
- 368.4 g/mol
Names & identifiers
- Preferred name
- 3-[[5-(Azidomethyl)tetrahydro-3-furanyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- IUPAC
- 3-[5-(azidomethyl)oxolan-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Names & synonyms
IULQOHHMRATOHB-UHFFFAOYSA-N3-[[5-(Azidomethyl)tetrahydro-3-furanyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Database identifiers
- PubChem CID
- 86750752
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 677
Related reactions
1 records
Compound notes
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