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

Structural Information

Molecular Formula

C₁₃₅H₁₅₅Br₄N₃₅O₈₇P₁₀S

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=C(C(=O)C(=C2OC2=C(C(=C(C=C12)Br)O)Br)Br)Br)C(=O)O

InChI

InChI=1S/C135H155Br4N35O87P10S/c1-218-93-82(251-135(272)148-46-12-13-47(48(28-46)123(189)190)71-49-29-51(136)78(183)72(138)80(49)250-81-50(71)30-52(137)79(184)73(81)139)54(240-112(93)164-21-14-64(176)149-128(164)191)32-229-263(200,201)259-90-62(248-120(101(90)226-9)172-43-145-75-105(172)157-125(141)161-109(75)186)40-237-268(210,211)258-89-60(246-118(100(89)225-8)170-27-20-70(182)155-134(170)197)38-236-271(216,217)261-92-63(249-122(103(92)228-11)174-45-147-77-107(174)159-127(143)163-111(77)188)41-238-269(212,213)257-88-58(244-117(99(88)224-7)169-26-19-69(181)154-133(169)196)36-234-266(206,207)255-86-56(242-115(97(86)222-5)167-24-17-67(179)152-131(167)194)34-232-264(202,203)253-84-55(241-113(95(84)220-3)165-22-15-65(177)150-129(165)192)33-231-265(204,205)254-85-57(243-114(96(85)221-4)166-23-16-66(178)151-130(166)193)35-233-267(208,209)256-87-59(245-116(98(87)223-6)168-25-18-68(180)153-132(168)195)37-235-270(214,215)260-91-61(247-121(102(91)227-10)173-44-146-76-106(173)158-126(142)162-110(76)187)39-230-262(198,199)252-83-53(31-175)239-119(94(83)219-2)171-42-144-74-104(171)156-124(140)160-108(74)185/h12-30,42-45,53-63,82-103,112-122,175,183H,31-41H2,1-11H3,(H,148,272)(H,189,190)(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,214,215)(H,216,217)(H,149,176,191)(H,150,177,192)(H,151,178,193)(H,152,179,194)(H,153,180,195)(H,154,181,196)(H,155,182,197)(H3,140,156,160,185)(H3,141,157,161,186)(H3,142,158,162,187)(H3,143,159,163,188)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,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

WPYVAWQBIUKHQV-ANSVVSHISA-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-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

Related CIDs

• CID 16729340