N-(Purine-6-Ylcarbamoyl)-L-Threonine Ribonucleoside 5'-Phosphate
[CAS# 49709-17-3]

Identification

• Name: N-(Purine-6-Ylcarbamoyl)-L-Threonine Ribonucleoside 5'-Phosphate
• Synonyms: Barium(+2) Cation; [(2R,3S,4R,5R)-5-[6-[[(1S,2R)-1-Carboxy-2-Hydroxy-Propyl]Carbamoylamino]Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphate; Barium(+2) Cation; [(2R,3S,4R,5R)-5-[6-[[[[(1S,2R)-1-Carboxy-2-Hydroxypropyl]Amino]-Oxomethyl]Amino]-9-Purinyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Phosphate; Barium(+2) Cation; [(2R,3S,4R,5R)-5-[6-[[(2S,3R)-1,3-Dihydroxy-1-Oxo-Butan-2-Yl]Carbamoylamino]Purin-9-Yl]-3,4-Dihydroxy-Oxolan-2-Yl]Methyl Phosphate
• Molecular Formula: C₁₅H₁₉BaN₆O₁₁P
• Molecular Weight: 627.66
• CAS Registry Number: 49709-17-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P]([O-])([O-])=O)[N]2C3=C(N=C2)C(=NC=N3)NC(=O)N[C@H](C(=O)O)[C@H](O)C.[Ba++]
• InChI: 1S/C15H21N6O11P.Ba/c1-5(22)7(14(25)26)19-15(27)20-11-8-12(17-3-16-11)21(4-18-8)13-10(24)9(23)6(32-13)2-31-33(28,29)30;/h3-7,9-10,13,22-24H,2H2,1H3,(H,25,26)(H2,28,29,30)(H2,16,17,19,20,27);/q;+2/p-2/t5-,6-,7+,9-,10-,13-;/m1./s1
• InChIKey: HLGVAXXBQFYEKD-AYDKGABZSA-L