Homophenoxymethylpenicillin
Basic information
- CAS
1752-26-7- Standard SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)CCOc3ccccc3)C(=O)N2[C@H]1C(=O)O- InChIKey
VYNSJZIBTBGKAJ-VNHYZAJKSA-N- Molecular formula
- C17H20N2O5S
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.10929292
Names & identifiers
- Preferred name
- Homophenoxymethylpenicillin
- IUPAC
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(3-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
1752-26-7HomophenoxymethylpenicillinDTXSID80938630AKOS028181032(2S,5R,6R)-6-[(1-Hydroxy-3-phenoxypropylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((1-oxo-3-phenoxypropyl)amino)-, (2S-(2alpha,5alpha,6beta))-6-[(1-Hydroxy-3-phenoxypropylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Database identifiers
- CAS
1752-26-7- PubChem CID
- 92901
- DTXSID
DTXSID80938630- Nikkaji
- J1.605.429A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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