2'-Deoxy-5-[(1E)-3-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]amino}-1-propen-1-yl]uridine 5'-(tetrahydrogen triphosphate)
[CAS# 86303-25-5]

Identification

• Name: 2'-Deoxy-5-[(1E)-3-{[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]amino}-1-propen-1-yl]uridine 5'-(tetrahydrogen triphosphate)
• Synonyms: Biotin-11-dutp; Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-((1E)-3-((6-((5-((3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)amino)-1-oxohexyl)amino)-1-propenyl-
• Molecular Formula: C₂₈H₄₅N₆O₁₇P₃S
• Molecular Weight: 862.67
• CAS Registry Number: 86303-25-5
• SMILES: O=C1N[C@@H]2[C@@H](SC[C@@H]2N1)CCCCC(=O)NCCCCCC(=O)NC\C=C\C\3=C\N(C(=O)NC/3=O)[C@@H]4O[C@H](COP(=O)(OP(=O)(O)OP(=O)(O)O)O)[C@@H](O)C4
• InChI: 1S/C28H45N6O17P3S/c35-19-13-24(49-20(19)15-48-53(44,45)51-54(46,47)50-52(41,42)43)34-14-17(26(38)33-28(34)40)7-6-12-30-22(36)9-2-1-5-11-29-23(37)10-4-3-8-21-25-18(16-55-21)31-27(39)32-25/h6-7,14,18-21,24-25,35H,1-5,8-13,15-16H2,(H,29,37)(H,30,36)(H,44,45)(H,46,47)(H2,31,32,39)(H,33,38,40)(H2,41,42,43)/b7-6+/t18-,19-,20+,21-,24+,25-/m0/s1
• InChIKey: AZRNEVJSOSKAOC-VPHBQDTQSA-N

Properties

• Density: 1.577g/cm³ (Cal.)