Biotin-XNTA

Catalog Number

ACM856661922-1

CAS

856661-92-2

Structure

Synonyms

Biotin-Xnitrilotriaceticacid,potassiumsalt

IUPAC Name

Tripotassium;(2S)-6-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]-2-[bis(carboxylatomethyl)amino]hexanoate

Molecular Weight

715.98

Molecular Formula

C26H40N5O9S.3K

Canonical SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])NC(=O)N2.[K+].[K+].[K+]

InChI

InChI=1S/C26H43N5O9S.3K/c32-20(28-13-7-5-8-18(25(38)39)31(14-22(34)35)15-23(36)37)10-2-1-6-12-27-21(33)11-4-3-9-19-24-17(16-41-19)29-26(40)30-24;;;/h17-19,24H,1-16H2,(H,27,33)(H,28,32)(H,34,35)(H,36,37)(H,38,39)(H2,29,30,40);;;/q;3*+1/p-3/t17-,18-,19-,24-;;;/m0.../s1

InChI Key

MKLSOXPHWHEJPK-RCFQCEFGSA-K

Purity

95%+

Storage

Freeze(<-15 °C); Minimizelightexposure

• Catalog Number: ACM856661922-1
• CAS: 856661-92-2
• Synonyms: Biotin-Xnitrilotriaceticacid,potassiumsalt
• IUPAC Name: Tripotassium;(2S)-6-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]-2-[bis(carboxylatomethyl)amino]hexanoate
• Molecular Weight: 715.98
• Molecular Formula: C26H40N5O9S.3K
• Canonical SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])NC(=O)N2.[K+].[K+].[K+]
• InChI: InChI=1S/C26H43N5O9S.3K/c32-20(28-13-7-5-8-18(25(38)39)31(14-22(34)35)15-23(36)37)10-2-1-6-12-27-21(33)11-4-3-9-19-24-17(16-41-19)29-26(40)30-24;;;/h17-19,24H,1-16H2,(H,27,33)(H,28,32)(H,34,35)(H,36,37)(H,38,39)(H2,29,30,40);;;/q;3*+1/p-3/t17-,18-,19-,24-;;;/m0.../s1
• InChI Key: MKLSOXPHWHEJPK-RCFQCEFGSA-K
• Purity: 95%+
• Storage: Freeze(<-15 °C); Minimizelightexposure