[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-oxolan-2-yl]methoxy-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-phosphinic acid
Molecular Formula:
C28H37N11O18P2
InChI: InChI=1/C28H37N11O18P2/c29-13-1-3-37(27(45)35-13)24-17(42)16(41)11(54-24)6-51-58(47,48)57-21-12(55-25(19(21)44)38-4-2-14(30)36-28(38)46)7-52-59(49,50)56-20-10(5-40)53-26(18(20)43)39-9-34-15-22(31)32-8-33-23(15)39/h1-4,8-12,16-21,24-26,40-44H,5-7H2,(H,47,48)(H,49,50)(H2,29,35,45)(H2,30,36,46)(H2,31,32,33)/f/h47,49H,29-31H2
InChIKey: InChIKey=VZJYWZRAHCUTCH-QKPFAACWCB
SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)COP(=O)(O)OC5C(OC(C5O)N6C=NC7=C6N=CN=C7N)CO)O)O
Names:
[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-oxolan-2-yl]methoxy-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-phosphinic acid
Registries:
PubChem CID 4487132
PubChem ID 6609360
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