Tabtoxin
[CAS# 40957-90-2]

Identification

• Name: Tabtoxin
• Synonyms: (2S,3R)-2-[[(2S)-2-Amino-4-[(3S)-3-Hydroxy-2-Oxo-Azetidin-3-Yl]Butanoyl]Amino]-3-Hydroxy-Butanoic Acid; (2S,3R)-2-[[(2S)-2-Amino-4-[(3S)-3-Hydroxy-2-Oxo-3-Azetidinyl]-1-Oxobutyl]Amino]-3-Hydroxybutanoic Acid; (2S,3R)-2-[[(2S)-2-Amino-4-[(3S)-3-Hydroxy-2-Keto-Azetidin-3-Yl]Butanoyl]Amino]-3-Hydroxy-Butyric Acid
• Molecular Formula: C₁₁H₁₉N₃O₆
• Molecular Weight: 289.29
• CAS Registry Number: 40957-90-2
• SMILES: [C@]1(CNC1=O)(O)CC[C@@H](C(N[C@@H]([C@@H](C)O)C(O)=O)=O)N
• InChI: 1S/C11H19N3O6/c1-5(15)7(9(17)18)14-8(16)6(12)2-3-11(20)4-13-10(11)19/h5-7,15,20H,2-4,12H2,1H3,(H,13,19)(H,14,16)(H,17,18)/t5-,6+,7+,11+/m1/s1
• InChIKey: BFSBNVPBVGFFCF-WDOVLDDZSA-N

Properties

• Density: 1.458g/cm³ (Cal.)
• Boiling point: 722.024°C at 760 mmHg (Cal.)
• Flash point: 390.466°C (Cal.)