5'-(2'-methoxy)[g-guuuuugugu]-3'-fi

Structural Information

Molecular Formula

C₁₃₅H₁₅₉N₃₅O₈₇P₁₀S

SMILES

COC1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)OP(=O)(O)OC[C@@H]4[C@H](C([C@@H](O4)N5C=NC6=C5N=C(NC6=O)N)OC)OP(=O)(O)OC[C@@H]7[C@H](C([C@@H](O7)N8C=CC(=O)NC8=O)OC)OP(=O)(O)OC[C@@H]9[C@H](C([C@@H](O9)N1C=CC(=O)NC1=O)OC)OP(=O)(O)OC[C@@H]1[C@H](C([C@@H](O1)N1C=CC(=O)NC1=O)OC)OP(=O)(O)OC[C@@H]1[C@H](C([C@@H](O1)N1C=CC(=O)NC1=O)OC)OP(=O)(O)OC[C@@H]1[C@H](C([C@@H](O1)N1C=CC(=O)NC1=O)OC)OP(=O)(O)OC[C@@H]1[C@H](C([C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OC[C@@H]1[C@H](C([C@@H](O1)N1C=CC(=O)NC1=O)OC)OP(=O)(O)OC[C@@H]1[C@H](C([C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OC[C@@H]1[C@H](C([C@@H](O1)N1C=CC(=O)NC1=O)OC)OC(=S)NC1=CC(=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(=C2)O)C(=O)O

InChI

InChI=1S/C135H159N35O87P10S/c1-214-93-82(247-135(268)144-50-12-15-53(56(32-50)123(185)186)77-54-16-13-51(172)33-57(54)235-58-34-52(173)14-17-55(58)77)60(237-112(93)160-25-18-70(174)145-128(160)187)36-225-259(196,197)255-90-68(245-120(101(90)222-9)168-47-141-79-105(168)153-125(137)157-109(79)182)44-233-264(206,207)254-89-66(243-118(100(89)221-8)166-31-24-76(180)151-134(166)193)42-232-267(212,213)257-92-69(246-122(103(92)224-11)170-49-143-81-107(170)155-127(139)159-111(81)184)45-234-265(208,209)253-88-64(241-117(99(88)220-7)165-30-23-75(179)150-133(165)192)40-230-262(202,203)251-86-62(239-115(97(86)218-5)163-28-21-73(177)148-131(163)190)38-228-260(198,199)249-84-61(238-113(95(84)216-3)161-26-19-71(175)146-129(161)188)37-227-261(200,201)250-85-63(240-114(96(85)217-4)162-27-20-72(176)147-130(162)189)39-229-263(204,205)252-87-65(242-116(98(87)219-6)164-29-22-74(178)149-132(164)191)41-231-266(210,211)256-91-67(244-121(102(91)223-10)169-48-142-80-106(169)154-126(138)158-110(80)183)43-226-258(194,195)248-83-59(35-171)236-119(94(83)215-2)167-46-140-78-104(167)152-124(136)156-108(78)181/h12-34,46-49,59-69,82-103,112-122,171-172H,35-45H2,1-11H3,(H,144,268)(H,185,186)(H,194,195)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,145,174,187)(H,146,175,188)(H,147,176,189)(H,148,177,190)(H,149,178,191)(H,150,179,192)(H,151,180,193)(H3,136,152,156,181)(H3,137,153,157,182)(H3,138,154,158,183)(H3,139,155,159,184)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93?,94?,95?,96?,97?,98?,99?,100?,101?,102?,103?,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-/m1/s1

InChIKey

JLKIAKQETWKZQW-KMIKOISXSA-N

Compound name

5-[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxycarbothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

Related CIDs

• CID 16729338