(2R,3R)-3-Phosphonooxy-2-(7-Sulfanylheptanoylamino)Butanoic Acid
[CAS# 104302-77-4]

Identification

• Name: (2R,3R)-3-Phosphonooxy-2-(7-Sulfanylheptanoylamino)Butanoic Acid
• Synonyms: (2R,3R)-2-[(7-Mercapto-1-Oxoheptyl)Amino]-3-Phosphonooxybutanoic Acid; (2R,3R)-2-(7-Mercaptoheptanoylamino)-3-Phosphonooxy-Butyric Acid; 7-Mercaptoheptanoyl-O-Phospho-L-Threonine
• Molecular Formula: C₁₁H₂₂NO₇PS
• Molecular Weight: 343.33
• CAS Registry Number: 104302-77-4
• SMILES: [C@@H](C)([C@@H](NC(=O)CCCCCCS)C(O)=O)O[P](=O)(O)O
• InChI: 1S/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t8-,10-/m1/s1
• InChIKey: JBJSVEVEEGOEBZ-PSASIEDQSA-N

Properties

• Density: 1.368g/cm³ (Cal.)