2,3-Methylene penam

Base Information

• Chemical Name: 2,3-Methylene penam
• CAS No.: 110220-97-8
• Molecular Formula: C16H16 N2 O4 S
• Molecular Weight: 332.37
• DSSTox Substance ID: DTXSID90149179
• Nikkaji Number: J1.668.213F
• Wikidata: Q83014887
• Metabolomics Workbench ID: 143867
• Mol file: 110220-97-8.mol

Synonyms:(2,3)-alpha-methylenebenzylpenicillin;2,3-alpha-methylenepenam;2,3-beta-methylenepenam;2,3-methylene penam;2,3-methylene penam, (2,3)-beta isomer;alpha-2,3-methylenepenicillin G;Ro 23-6829;Ro-23-6829;Ro23-6829

Chemical Property of 2,3-Methylene penam

Chemical Property:

• Vapor Pressure: 1.75E-19mmHg at 25°C
• Boiling Point: 681.1°Cat760mmHg
• PKA: 3.24±0.60(Predicted)
• Flash Point: 365.7°C
• PSA: 115.50000
• Density: 1.53g/cm³
• LogP: 1.39300
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 332.08307817
• Heavy Atom Count: 23
• Complexity: 591

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC1(N3C(S2)C(C3=O)NC(=O)CC4=CC=CC=C4)C(=O)O
• Isomeric SMILES: C[C@@]12C[C@@]1(N3[C@H](S2)[C@@H](C3=O)NC(=O)CC4=CC=CC=C4)C(=O)O

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