3-[(acetyloxy)methyl]-7-[5-(3-methylphenoxymethyl)furan-2-amido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

3-[(acetyloxy)methyl]-7-[5-(3-methylphenoxymethyl)furan-2-amido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Formula: C23H22N2O8S

SMILES: CC(=O)OCC1=C(N2C(SC1)C(NC(=O)C1=CC=C(COC3=CC=CC(C)=C3)O1)C2=O)C(O)=O

IUPAC: 3-[(acetyloxy)methyl]-7-{5-[(3-methylphenoxy)methyl]furan-2-amido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

InChI: InChI=1/C23H22N2O8S/c1-12-4-3-5-15(8-12)32-10-16-6-7-17(33-16)20(27)24-18-21(28)25-19(23(29)30)14(9-31-13(2)26)11-34-22(18)25/h3-8,18,22H,9-11H2,1-2H3,(H,24,27)(H,29,30)

Composition: C (56.78%), H (4.56%), N (5.76%), O (26.31%), S (6.59%)

Molar Mass: 486.5

Atom Count: 56

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	486.10968685
Formal Charge	0
FSP3	0.3
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	WNUDHLROLGSOAX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	121.24
Topological Polar Surface Area	135.38
Polarizability	46.37
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H22N2O8S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00