6-Sulfoaminopenicillanic Acid
[CAS# 83670-99-9]

Identification

• Name: 6-Sulfoaminopenicillanic Acid
• Synonyms: (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-(Sulfoamino)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 4-Thia-1-Azabicyclo(3.2.0)Heptane-2-Carboxylic Acid, 3,3-Dimethyl-7-Oxo-6-(Sulfoamino)-, (2S-(2Alpha,5Alpha,6Beta))-; 6-Sulfoaminopenicillanic Acid
• Molecular Formula: C₈H₁₂N₂O₆S₂
• Molecular Weight: 296.31
• CAS Registry Number: 83670-99-9
• SMILES: [C@H]1(N2[C@H](SC1(C)C)[C@@H](C2=O)N[S](=O)(=O)O)C(=O)O
• InChI: 1S/C8H12N2O6S2/c1-8(2)4(7(12)13)10-5(11)3(6(10)17-8)9-18(14,15)16/h3-4,6,9H,1-2H3,(H,12,13)(H,14,15,16)/t3-,4+,6-/m1/s1
• InChIKey: MLMMPOPYWFDUAP-ALEPSDHESA-N

Properties

• Density: 1.816g/cm³ (Cal.)