[[[(1R,2R,4R,5R,7R)-4-(6-aminopurin-9-yl)-1',3',5'-trinitro-spiro[3,6,8-trioxabicyclo[3.3.0]octane-7,6'-cyclohexa-1,3-diene]-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid
Molecular Formula:
C16H17N8O19P3
InChI: InChI=1/C16H17N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7-8,11-12,15H,3H2,(H,34,35)(H,36,37)(H2,17,18,19)(H2,31,32,33)/t7-,8?,11-,12-,15-,16-/m1/s1/f/h31-32,34,36H,17H2
InChIKey: InChIKey=DSFVPALDDWRTFF-JABOYHSIDO
SMILES: C1=C(C=C(C2(C1[N+](=O)[O-])OC3C(OC(C3O2)N4C=NC5=C4N=CN=C5N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[N+](=O)[O-])[N+](=O)[O-]
Names:
[[[(1R,2R,4R,5R,7R)-4-(6-aminopurin-9-yl)-1',3',5'-trinitro-spiro[3,6,8-trioxabicyclo[3.3.0]octane-7,6'-cyclohexa-1,3-diene]-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid
Registries:
PubChem CID 4369197
PubChem ID 11538974
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