D(antngnancn)ru, phosphoramidate

Structural Information

Molecular Formula

C₅₈H₇₉N₂₇O₃₃P₆

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O)N4C=NC5=C(N=CN=C54)N)O)NP(=O)(O)OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C7N=C(NC8=O)N)NP(=O)(O)OC[C@@H]9[C@H](C[C@@H](O9)N1C=NC2=C(N=CN=C21)N)NP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)NC1=O)O)O

InChI

InChI=1S/C58H79N27O33P6/c1-23-11-82(58(93)74-52(23)89)38-7-25(30(114-38)13-108-122(100,101)79-28-9-40(117-33(28)16-112-124(104,105)106)84-21-68-43-48(61)64-19-66-50(43)84)76-119(94,95)110-15-32-27(10-41(116-32)85-22-69-44-51(85)72-55(62)73-53(44)90)78-121(98,99)109-14-31-26(8-39(115-31)83-20-67-42-47(60)63-18-65-49(42)83)77-120(96,97)107-12-29-24(6-37(113-29)80-4-2-35(59)70-56(80)91)75-123(102,103)111-17-34-45(87)46(88)54(118-34)81-5-3-36(86)71-57(81)92/h2-5,11,18-22,24-34,37-41,45-46,54,87-88H,6-10,12-17H2,1H3,(H2,59,70,91)(H2,60,63,65)(H2,61,64,66)(H,71,86,92)(H,74,89,93)(H2,75,102,103)(H2,76,94,95)(H2,77,96,97)(H2,78,98,99)(H2,79,100,101)(H2,104,105,106)(H3,62,72,73,90)/t24-,25-,26-,27-,28-,29+,30+,31+,32+,33+,34+,37+,38+,39+,40+,41+,45+,46+,54+/m0/s1

InChIKey

ISDJRLVQAREWQI-VXFJVHHESA-N

Compound name

[(2S,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]amino]oxolan-2-yl]methoxy-hydroxyphosphoryl]amino]-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]amino]oxolan-2-yl]methoxy-N-[(2S,3S,5R)-2-[[[[(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]phosphonamidic acid

Related CIDs

• CID 135508905