(6R,7R)-3-(Acetyloxymethyl)-7-[(2-Acetyloxy-2-Phenyl-Acetyl)Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 27910-29-8]

Identification

• Name: (6R,7R)-3-(Acetyloxymethyl)-7-[(2-Acetyloxy-2-Phenyl-Acetyl)Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R,7R)-3-(Acetoxymethyl)-7-[(2-Acetoxy-2-Phenyl-Acetyl)Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-(Acetoxymethyl)-7-[(2-Acetoxy-1-Oxo-2-Phenylethyl)Amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-(Acetoxymethyl)-7-[(2-Acetoxy-2-Phenyl-Acetyl)Amino]-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₂₀H₂₀N₂O₈S
• Molecular Weight: 448.45
• CAS Registry Number: 27910-29-8
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(OC(=O)C)C3=CC=CC=C3)C(=O)O)COC(=O)C
• InChI: 1S/C20H20N2O8S/c1-10(23)29-8-13-9-31-19-14(18(26)22(19)15(13)20(27)28)21-17(25)16(30-11(2)24)12-6-4-3-5-7-12/h3-7,14,16,19H,8-9H2,1-2H3,(H,21,25)(H,27,28)/t14-,16?,19-/m1/s1
• InChIKey: XRVPSMBZQKYMGA-WDOBJEIGSA-N

Properties

• Density: 1.504g/cm³ (Cal.)
• Boiling point: 765.561°C at 760 mmHg (Cal.)
• Flash point: 416.797°C (Cal.)