GHS
GHS Classification Search
Adenosine 5a(2)-(trihydrogen diphosphate), Pa(2)a5a(2)-ester with 1,6-dihydro-6-imino-1-I(2)-D-ribofuranosyl-3-pyridinecarboxamide
CAS Number: 1065-52-7
IUPAC name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(5-carbamoyl-2-imino-1-pyridinyl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Molecular formula: C21H28N8O14P2
Molecular weight: 678.4
InChI: InChI=1S/C21H28N8O14P2/c22-11-2-1-8(18(24)34)3-28(11)20-15(32)13(30)9(41-20)4-39-44(35,36)43-45(37,38)40-5-10-14(31)16(33)21(42-10)29-7-27-12-17(23)25-6-26-19(12)29/h1-3,6-7,9-10,13-16,20-22,30-33H,4-5H2,(H2,24,34)(H,35,36)(H,37,38)(H2,23,25,26)/t9-,10-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKey: PJQNRWUILAQHFC-OZMHHCNCSA-N
SMILES: -
EINECS: C1=CC(=N)N(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O
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