penicillin v

(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS: 87-08-1

Molecular Formula	`C16H18N2O5S`
Molecular Weight	350.4 g/mol
LogP	2.1
Topological Polar Surface Area	121.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	350.09363
Heavy Atoms	24
Complexity	547.0

Chemical Identifiers

CAS Number	87-08-1
SMILES	`CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C`
InChIKey	`BPLBGHOLXOTWMN-MBNYWOFBSA-N`

📖 Product Overview

penicillin v (CAS: 87-08-1) is a chemical compound with molecular formula C16H18N2O5S and molecular weight 350.4 g/mol. Its IUPAC systematic name is (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. LogP 2.1 Topological Polar Surface Area 121.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 350.09363 Heavy Atoms 24 Complexity 547.0 InChI Key: BPLBGHOLXOTWMN-MBNYWOFBSA-N. SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.

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