Pb1-aug-ran

Structural Information

Molecular Formula

C₁₉₆H₂₄₅N₈₀O₁₁₈P₂₀

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9CO[P+](=O)O)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C196H244N80O118P20/c1-75-33-261(193(292)253-173(75)278)128-18-84(106(363-128)44-343-407(320,321)390-94-28-138(272-70-232-150-168(272)242-184(208)248-178(150)283)372-115(94)53-352-404(314,315)383-87-21-131(264-36-78(4)176(281)256-196(264)295)362-105(87)43-342-406(318,319)386-90-24-134(267-65-227-145-157(203)215-59-221-163(145)267)366-109(90)47-345-399(304,305)378-82-16-126(259-11-7-121(199)239-191(259)290)359-102(82)40-339-398(302,303)377-81-15-125(258-10-6-120(198)238-190(258)289)358-101(81)39-338-397(300,301)376-80-14-124(357-100(80)37-336-395(296)297)257-9-5-119(197)237-189(257)288)380-401(308,309)341-42-104-85(19-129(361-104)262-34-76(2)174(279)254-194(262)293)382-403(312,313)353-54-116-97(31-141(373-116)275-73-235-153-171(275)245-187(211)251-181(153)286)393-413(332,333)350-51-113-93(27-137(370-113)270-68-230-148-160(206)218-62-224-166(148)270)389-411(328,329)355-56-118-98(32-142(375-118)276-74-236-154-172(276)246-188(212)252-182(154)287)394-414(334,335)349-50-112-91(25-135(369-112)268-66-228-146-158(204)216-60-222-164(146)268)387-409(324,325)347-49-111-92(26-136(368-111)269-67-229-147-159(205)217-61-223-165(147)269)388-410(326,327)354-55-117-95(29-139(374-117)273-71-233-151-169(273)243-185(209)249-179(151)284)391-408(322,323)344-45-107-86(20-130(364-107)263-35-77(3)175(280)255-195(263)294)381-402(310,311)346-48-110-89(23-133(367-110)266-64-226-144-156(202)214-58-220-162(144)266)385-405(316,317)340-41-103-83(17-127(360-103)260-12-8-122(200)240-192(260)291)379-400(306,307)351-52-114-96(30-140(371-114)274-72-234-152-170(274)244-186(210)250-180(152)285)392-412(330,331)348-46-108-88(22-132(365-108)265-63-225-143-155(201)213-57-219-161(143)265)384-396(298,299)337-38-99-79(277)13-123(356-99)271-69-231-149-167(271)241-183(207)247-177(149)282/h5-12,33-36,57-74,79-118,123-142,277H,13-32,37-56H2,1-4H3,(H61-,197,198,199,200,201,202,203,204,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,237,238,239,240,241,242,243,244,245,246,247,248,249,250,251,252,253,254,255,256,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,299,300,301,302,303,304,305,306,307,308,309,310,311,312,313,314,315,316,317,318,319,320,321,322,323,324,325,326,327,328,329,330,331,332,333,334,335)/p+1

InChIKey

TVPSVLIMTSDKRD-UHFFFAOYSA-O

Compound name

[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-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]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-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]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-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]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium

Related CIDs

• CID 16132011