12 tar 7xome/5xtricyclo-dna fam

Structural Information

Molecular Formula

C₁₅₄H₁₇₅N₄₂O₈₂P₁₁

SMILES

CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O[C@]45C[C@@H]6C[C@@]6([C@H]4O[C@H](C5)N7C=CC(=NC7=O)N)OP(=O)(O)O[C@@H]8[C@H](O[C@H]([C@@H]8OC)N9C=CC(=O)NC9=O)COP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H](C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)O[C@@H]1C(O[C@H](C1OC)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@H]1C[C@@H](OC1COP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)OC1C(O[C@H](C1OC)N1C=CC(=O)NC1=O)COP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)O)N1C=CC(=NC1=O)N)OC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(C=C(C=C2)O)OC2=C1C=CC(=C2)O

InChI

InChI=1S/C154H175N42O82P11/c1-236-107-101(262-127(203)61-7-10-69-72(29-61)154(263-128(69)204)70-11-8-67(197)30-73(70)249-74-31-68(198)9-12-71(74)154)77(251-123(107)193-57-169-97-113(161)165-55-167-115(97)193)49-245-283(222,223)272-147-36-65-41-152(65,132(147)260-95(46-147)189-25-17-87(159)177-140(189)209)277-288(232,233)268-105-82(253-122(109(105)238-3)192-28-20-90(200)180-143(192)212)54-248-285(226,227)274-148-37-66-42-153(66,133(148)261-96(47-148)190-26-18-88(160)178-141(190)210)278-289(234,235)269-106-79(256-126(112(106)241-6)196-60-172-100-118(196)182-135(164)184-120(100)202)51-243-280(216,217)265-102-78(255-125(111(102)240-5)195-59-171-99-117(195)181-134(163)183-119(99)201)50-242-279(214,215)266-103-80(254-124(110(103)239-4)194-58-170-98-114(162)166-56-168-116(98)194)52-247-284(224,225)273-145-34-63-39-150(63,130(145)258-93(44-145)187-23-15-85(157)175-138(187)207)275-286(228,229)264-75-32-91(185-21-13-83(155)173-136(185)205)250-76(75)48-244-281(218,219)271-146-35-64-40-151(64,131(146)259-94(45-146)188-24-16-86(158)176-139(188)208)276-287(230,231)267-104-81(252-121(108(104)237-2)191-27-19-89(199)179-142(191)211)53-246-282(220,221)270-144-33-62-38-149(62,213)129(144)257-92(43-144)186-22-14-84(156)174-137(186)206/h7-31,55-60,62-66,75-82,91-96,101-112,121-126,129-133,197-198,213H,32-54H2,1-6H3,(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H2,155,173,205)(H2,156,174,206)(H2,157,175,207)(H2,158,176,208)(H2,159,177,209)(H2,160,178,210)(H2,161,165,167)(H2,162,166,168)(H,179,199,211)(H,180,200,212)(H3,163,181,183,201)(H3,164,182,184,202)/t62-,63-,64-,65-,66-,75+,76?,77-,78-,79-,80?,81?,82-,91-,92-,93-,94-,95-,96-,101-,102-,103-,104?,105-,106-,107-,108?,109-,110?,111?,112-,121-,122-,123-,124-,125-,126-,129+,130+,131+,132+,133+,144+,145+,146+,147+,148+,149-,150-,151-,152-,153-/m1/s1

InChIKey

UOCMGQOQLIVSFG-XCCRJIPBSA-N

Compound name

[(2R,3R,4R,5R)-2-[[[(1S,2R,4S,6S,8R)-2-[[(2R,3R,4R,5R)-2-[[[(1S,2R,4S,6S,8R)-2-[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(3R,5R)-2-[[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(5R)-2-[[[(1R,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxy-8-(4-amino-2-oxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxy-8-(4-amino-2-oxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl] 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylate

Related CIDs

• CID 49768299