[[(2S,3R,4S,5S)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy]phosphinic acid
Molecular Formula:
C21H27N6O15P2+
InChI: InChI=1/C21H26N6O15P2/c22-17(32)9-2-1-3-26(4-9)20-15(30)13(28)10(40-20)5-38-43(34,35)42-44(36,37)39-6-11-14(29)16(31)21(41-11)27-8-25-12-18(27)23-7-24-19(12)33/h1-4,7-8,10-11,13-16,20-21,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11+,13-,14+,15-,16+,20-,21+/m0/s1/fC21H27N6O15P2/h23,34,36H,22H2/q+1
InChIKey: InChIKey=DGVSIBCCYUVRNA-REZJYTIVDN
SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4NC=NC5=O)O)O)O)O)C(=O)N
Names:
[[(2S,3R,4S,5S)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy]phosphinic acid
Registries:
PubChem CID 10211824
PubChem ID 15209916
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