Cephaloglycin

C₁₈H₁₉N₃O₆S — CID 19150

About Cephaloglycin

Cephaloglycin (PubChem CID 19150) has the molecular formula C₁₈H₁₉N₃O₆S and a molecular weight of 405.43 g/mol. Its IUPAC name is (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

Molecular Properties

• Compound Name: Cephaloglycin
• PubChem CID: 19150
• Molecular Formula: C₁₈H₁₉N₃O₆S
• Molecular Weight: 405.43 g/mol
• Exact Mass: 405.10
• IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• SMILES: CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1
• InChI: InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1
• InChIKey: FUBBGQLTSCSAON-PBFPGSCMSA-N
• XLogP: -0.01
• TPSA: 139.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.43
LogP ≤ 5	-0.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of Cephaloglycin?

The IUPAC name of Cephaloglycin (CID 19150) is (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

What is the SMILES notation for Cephaloglycin?

The canonical SMILES for Cephaloglycin is CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.

What is the InChIKey of Cephaloglycin?

The InChIKey is FUBBGQLTSCSAON-PBFPGSCMSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1.

What are the key properties of Cephaloglycin?

Cephaloglycin has a molecular weight of 405.43 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Cephaloglycin is sourced from PubChem (CID 19150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 19150 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 572 — approved-drug record (CC BY-SA 4.0)

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