Benzyl-5'-tgggag-3'

Structural Information

Molecular Formula

C₆₇H₈₀N₂₇O₃₄P₅

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCC3=CC=CC=C3)OP(=O)(O)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C5N=C(NC6=O)N)OP(=O)(O)OC[C@@H]7[C@H](C[C@@H](O7)N8C=NC9=C8N=C(NC9=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/C67H80N27O34P5/c1-27-13-89(67(101)88-58(27)96)42-8-30(36(119-42)15-112-14-28-5-3-2-4-6-28)124-130(104,105)114-18-38-32(10-44(121-38)92-24-77-49-55(92)81-64(70)85-60(49)98)127-132(108,109)116-20-40-34(12-46(123-40)94-26-79-51-57(94)83-66(72)87-62(51)100)128-133(110,111)117-19-39-33(11-45(122-39)93-25-78-50-56(93)82-65(71)86-61(50)99)126-131(106,107)115-17-37-31(9-43(120-37)90-22-75-47-52(68)73-21-74-53(47)90)125-129(102,103)113-16-35-29(95)7-41(118-35)91-23-76-48-54(91)80-63(69)84-59(48)97/h2-6,13,21-26,29-46,95H,7-12,14-20H2,1H3,(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H2,68,73,74)(H,88,96,101)(H3,69,80,84,97)(H3,70,81,85,98)(H3,71,82,86,99)(H3,72,83,87,100)/t29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42+,43?,44+,45+,46+/m0/s1

InChIKey

ZCFGNHSDLLTHSN-ACLIEKJFSA-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-(phenylmethoxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16186575