5'-dmtr-tgtgaggtgggtctg-3'

Structural Information

Molecular Formula

C₁₇₀H₂₀₄N₅₈O₉₄P₁₄

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=O)(O)OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(O)OC[C@@H]9[C@H](C[C@@H](O9)N1C=C(C(=O)NC1=O)C)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)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](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)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](C[C@@H](O1)N1C=NC2=C1N=C(NC2=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](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C170H204N58O94P14/c1-68-38-215(165(244)209-143(68)230)111-25-79(94(295-111)43-279-170(73-11-9-8-10-12-73,74-13-17-76(277-6)18-14-74)75-15-19-77(278-7)20-16-75)309-324(251,252)286-51-101-86(31-117(302-101)222-61-185-126-136(222)194-157(174)202-149(126)236)316-329(261,262)284-48-98-83(28-114(299-98)218-41-71(4)146(233)212-168(218)247)313-327(257,258)288-52-102-89(34-120(303-102)225-64-188-129-139(225)197-160(177)205-152(129)239)319-333(269,270)287-50-100-85(30-116(301-100)220-59-183-124-133(172)181-58-182-134(124)220)315-332(267,268)290-54-104-91(36-122(305-104)227-66-190-131-141(227)199-162(179)207-154(131)241)321-335(273,274)291-55-105-88(33-119(306-105)224-63-187-128-138(224)196-159(176)204-151(128)238)318-331(265,266)285-49-99-84(29-115(300-99)219-42-72(5)147(234)213-169(219)248)314-328(259,260)289-53-103-90(35-121(304-103)226-65-189-130-140(226)198-161(178)206-153(130)240)320-334(271,272)293-57-107-92(37-123(308-107)228-67-191-132-142(228)200-163(180)208-155(132)242)322-336(275,276)292-56-106-87(32-118(307-106)223-62-186-127-137(223)195-158(175)203-150(127)237)317-330(263,264)283-47-97-82(27-113(298-97)217-40-70(3)145(232)211-167(217)246)312-326(255,256)281-45-95-80(24-110(296-95)214-22-21-108(171)192-164(214)243)310-325(253,254)282-46-96-81(26-112(297-96)216-39-69(2)144(231)210-166(216)245)311-323(249,250)280-44-93-78(229)23-109(294-93)221-60-184-125-135(221)193-156(173)201-148(125)235/h8-22,38-42,58-67,78-107,109-123,229H,23-37,43-57H2,1-7H3,(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H2,171,192,243)(H2,172,181,182)(H,209,230,244)(H,210,231,245)(H,211,232,246)(H,212,233,247)(H,213,234,248)(H3,173,193,201,235)(H3,174,194,202,236)(H3,175,195,203,237)(H3,176,196,204,238)(H3,177,197,205,239)(H3,178,198,206,240)(H3,179,199,207,241)(H3,180,200,208,242)/t78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,109+,110+,111+,112+,113+,114+,115+,116?,117+,118+,119+,120+,121+,122+,123+/m0/s1

InChIKey

VIUSFCIBTVIFEV-GZKPEUGHSA-N

Compound name

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

Related CIDs

• CID 16186513