(1S,6beta)-4-Amino-5alpha-Hydroxy-2-Oxo-7-Oxabicyclo[4.1.0]Hept-3-Ene-3-Carboxylic Acid
[CAS# 68245-16-9]

Identification

• Name: (1S,6beta)-4-Amino-5alpha-Hydroxy-2-Oxo-7-Oxabicyclo[4.1.0]Hept-3-Ene-3-Carboxylic Acid
• Synonyms: (1S,2S,6S)-3-Amino-2-Hydroxy-5-Keto-7-Oxabicyclo[4.1.0]Hept-3-Ene-4-Carboxylic Acid; 7-Oxabicyclo(4.1.0)Hept-3-Ene-3-Carboxylic Acid, 4-Amino-5-Hydroxy-2-Oxo-, (1S-(1-Alpha,5-Beta,6-Alpha))-; Enaminomycin C
• Molecular Formula: C₇H₇NO₅
• Molecular Weight: 185.14
• CAS Registry Number: 68245-16-9
• SMILES: [C@H]12O[C@H]1[C@@H](O)C(=C(C2=O)C(=O)O)N
• InChI: 1S/C7H7NO5/c8-2-1(7(11)12)3(9)5-6(13-5)4(2)10/h4-6,10H,8H2,(H,11,12)/t4-,5+,6-/m0/s1
• InChIKey: ATFAXYSVQZKZQN-JKUQZMGJSA-N

Properties

• Density: 1.873g/cm³ (Cal.)
• Boiling point: 478.123°C at 760 mmHg (Cal.)
• Flash point: 242.96°C (Cal.)