6-alpha-Hydroxyethyl-2-Acetoxymethyl-2-Penem-3-Carboxylic Acid
[CAS# 83572-65-0]

Identification

• Name: 6-alpha-Hydroxyethyl-2-Acetoxymethyl-2-Penem-3-Carboxylic Acid
• Synonyms: (5R,6R)-3-(Acetoxymethyl)-6-(1-Hydroxyethyl)-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6R)-3-(Acetoxymethyl)-6-(1-Hydroxyethyl)-7-Keto-4-Thia-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; 4-Thia-1-Azabicyclo(3.2.0)Hept-2-Ene-2-Carboxylic Acid, 3-((Acetyloxy)Methyl)-6-(1-Hydroxyethyl)-7-Oxo-, (5R-(5Alpha,6Alpha(R*)))-
• Molecular Formula: C₁₁H₁₃NO₆S
• Molecular Weight: 287.29
• CAS Registry Number: 83572-65-0
• SMILES: [C@H]12SC(=C(N1C(=O)[C@H]2[C@H](O)C)C(=O)O)COC(=O)C
• InChI: 1S/C11H13NO6S/c1-4(13)7-9(15)12-8(11(16)17)6(19-10(7)12)3-18-5(2)14/h4,7,10,13H,3H2,1-2H3,(H,16,17)/t4-,7-,10-/m1/s1
• InChIKey: MKQHNLUMRGXUPX-XMRAEQSQSA-N

Properties

• Density: 1.59g/cm³ (Cal.)
• Boiling point: 549.541°C at 760 mmHg (Cal.)
• Flash point: 286.152°C (Cal.)