Sirna 330

Structural Information

Molecular Formula

C₁₈₁H₂₂₅N₇₃O₁₂₈P₁₈

SMILES

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=O)NC6=O)COP(=O)(O)OC7C(OC(C7O)N8C=NC9=C8N=C(NC9=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)CO)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)O)O

InChI

InChI=1S/C181H225N73O128P18/c182-74-1-10-236(173(283)221-74)152-96(263)114(366-386(298,299)331-22-59-116(98(265)154(350-59)238-12-3-76(184)223-175(238)285)368-389(304,305)340-32-68-126(108(275)165(359-68)250-50-216-88-136(192)202-43-209-143(88)250)380-399(324,325)344-35-71-128(110(277)167(362-71)252-52-218-90-145(252)230-170(194)233-148(90)280)374-383(292,293)328-20-56-93(260)94(261)151(347-56)241-15-6-79(256)226-178(241)288)57(348-152)21-330-385(296,297)367-115-58(349-153(97(115)264)237-11-2-75(183)222-174(237)284)23-332-387(300,301)371-119-62(353-157(101(119)268)242-16-7-80(257)227-179(242)289)26-333-388(302,303)372-120-64(355-158(102(120)269)243-17-8-81(258)228-180(243)290)28-337-396(318,319)381-129-73(364-168(111(129)278)253-53-219-91-146(253)231-171(195)234-149(91)281)37-345-400(326,327)382-130-72(363-169(112(130)279)254-54-220-92-147(254)232-172(196)235-150(92)282)36-343-392(310,311)373-121-63(354-159(103(121)270)244-18-9-82(259)229-181(244)291)27-336-395(316,317)377-124-69(360-163(106(124)273)248-48-214-86-134(190)200-41-207-141(86)248)33-341-398(322,323)379-127-70(361-166(109(127)276)251-51-217-89-137(193)203-44-210-144(89)251)34-342-397(320,321)378-125-67(358-164(107(125)274)249-49-215-87-135(191)201-42-208-142(87)249)31-339-391(308,309)370-118-61(352-156(100(118)267)240-14-5-78(186)225-177(240)287)25-335-394(314,315)376-123-66(357-162(105(123)272)247-47-213-85-133(189)199-40-206-140(85)247)30-338-390(306,307)369-117-60(351-155(99(117)266)239-13-4-77(185)224-176(239)286)24-334-393(312,313)375-122-65(356-161(104(122)271)246-46-212-84-132(188)198-39-205-139(84)246)29-329-384(294,295)365-113-55(19-255)346-160(95(113)262)245-45-211-83-131(187)197-38-204-138(83)245/h1-18,38-73,93-130,151-169,255,260-279H,19-37H2,(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H2,182,221,283)(H2,183,222,284)(H2,184,223,285)(H2,185,224,286)(H2,186,225,287)(H2,187,197,204)(H2,188,198,205)(H2,189,199,206)(H2,190,200,207)(H2,191,201,208)(H2,192,202,209)(H2,193,203,210)(H,226,256,288)(H,227,257,289)(H,228,258,290)(H,229,259,291)(H3,194,230,233,280)(H3,195,231,234,281)(H3,196,232,235,282)

InChIKey

FNHVNCLMTLWRNN-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16132004