(2-naphthyl methyl)-5'-tgggag-3'

Structural Information

Molecular Formula

C₇₁H₈₂N₂₇O₃₄P₅

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCC3=CC4=CC=CC=C4C=C3)OP(=O)(O)OC[C@@H]5[C@H](C[C@@H](O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OC[C@@H]8[C@H](C[C@@H](O8)N9C=NC1=C9N=C(NC1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@H](CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C71H82N27O34P5/c1-29-15-93(71(105)92-62(29)100)46-10-34(40(123-46)17-116-16-30-6-7-31-4-2-3-5-32(31)8-30)128-134(108,109)118-20-42-36(12-48(125-42)96-26-81-53-59(96)85-68(74)89-64(53)102)131-136(112,113)120-22-44-38(14-50(127-44)98-28-83-55-61(98)87-70(76)91-66(55)104)132-137(114,115)121-21-43-37(13-49(126-43)97-27-82-54-60(97)86-69(75)90-65(54)103)130-135(110,111)119-19-41-35(11-47(124-41)94-24-79-51-56(72)77-23-78-57(51)94)129-133(106,107)117-18-39-33(99)9-45(122-39)95-25-80-52-58(95)84-67(73)88-63(52)101/h2-8,15,23-28,33-50,99H,9-14,16-22H2,1H3,(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H2,72,77,78)(H,92,100,105)(H3,73,84,88,101)(H3,74,85,89,102)(H3,75,86,90,103)(H3,76,87,91,104)/t33-,34-,35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45+,46+,47?,48+,49+,50+/m0/s1

InChIKey

CBQRFSLXZFXWGF-JSXIIAROSA-N

Compound name

[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(naphthalen-2-ylmethoxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16186580