(2S,4R,5R,6R)-6-Amino-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide
[CAS# 64489-83-4]

Identification

• Name: (2S,4R,5R,6R)-6-Amino-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide
• Molecular Formula: C₆H₈N₂O₄S
• Molecular Weight: 204.20
• CAS Registry Number: 64489-83-4
• SMILES: C1[C@@H](N2[C@H]([S@@]1=O)[C@@H](C2=O)N)C(=O)O
• InChI: 1S/C6H8N2O4S/c7-3-4(9)8-2(6(10)11)1-13(12)5(3)8/h2-3,5H,1,7H2,(H,10,11)/t2-,3-,5-,13-/m1/s1
• InChIKey: SNUSANCFVFETPH-IYQDIJFSSA-N

Properties

• Density: 1.9±0.1g/cm³ (Cal.)
• Boiling point: 685.2±55.0°C at 760 mmHg (Cal.)
• Flash point: 368.2±31.5°C (Cal.)