N1'-Carboxybiotin
[CAS# 6706-15-6]

Identification

• Name: N1'-Carboxybiotin
• Synonyms: (3As,4S,6Ar)-4-(5-Hydroxy-5-Oxo-Pentyl)-2-Oxo-3A,4,6,6A-Tetrahydro-3H-Thieno[3,4-D]Imidazole-1-Carboxylic Acid; (3As,4S,6Ar)-4-(5-Hydroxy-5-Keto-Pentyl)-2-Keto-3A,4,6,6A-Tetrahydro-3H-Thieno[3,4-D]Imidazole-1-Carboxylic Acid; 1H-Thieno(3,4-D)Imidazole-4-Pentanoic Acid, 1-Carboxyhexahydro-2-Oxo-, (3As-(3Aalpha,4Beta,6Aalpha))-
• Molecular Formula: C₁₁H₁₆N₂O₅S
• Molecular Weight: 288.32
• CAS Registry Number: 6706-15-6
• SMILES: [C@@H]12N(C(N[C@@H]1[C@@H](SC2)CCCCC(=O)O)=O)C(=O)O
• InChI: 1S/C11H16N2O5S/c14-8(15)4-2-1-3-7-9-6(5-19-7)13(11(17)18)10(16)12-9/h6-7,9H,1-5H2,(H,12,16)(H,14,15)(H,17,18)/t6-,7-,9-/m0/s1
• InChIKey: WGIRSTDPYSLVEB-ZKWXMUAHSA-N

Properties

• Density: 1.442g/cm³ (Cal.)