5'-bi

Structural Information

Molecular Formula

C₁₇₅H₂₂₃N₆₆O₁₀₁P₁₇

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(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OCCCNC(=O)CCC1=CC2=C(C=C1)NC=N2)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)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=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C175H223N66O101P17/c1-76-44-233(174(256)223-160(76)244)132-35-89(334-352(276,277)297-50-102-87(33-130(313-102)231-23-14-121(182)217-172(231)254)333-351(274,275)308-62-114-97(43-140(326-114)241-75-210-147-159(241)220-165(190)222-163(147)247)342-359(290,291)309-61-113-96(42-139(325-113)240-74-209-146-158(240)219-164(189)221-162(146)246)336-344(260,261)294-46-98-81(242)27-124(310-98)225-17-8-115(176)211-166(225)248)107(318-132)55-302-347(266,267)329-84-30-127(228-20-11-118(179)214-169(228)251)316-105(84)53-300-356(284,285)339-93-39-136(237-71-206-143-150(186)196-66-201-155(143)237)323-111(93)59-306-353(278,279)335-90-36-133(234-45-77(2)161(245)224-175(234)257)319-108(90)56-303-348(268,269)330-85-31-128(229-21-12-119(180)215-170(229)252)315-104(85)52-299-355(282,283)338-92-38-135(236-70-205-142-149(185)195-65-200-154(142)236)321-109(92)57-304-350(272,273)332-88-34-131(232-24-15-122(183)218-173(232)255)317-106(88)54-301-357(286,287)340-94-40-137(238-72-207-144-151(187)197-67-202-156(144)238)324-112(94)60-307-358(288,289)341-95-41-138(239-73-208-145-152(188)198-68-203-157(145)239)322-110(95)58-305-349(270,271)331-86-32-129(230-22-13-120(181)216-171(230)253)312-101(86)49-296-345(262,263)327-82-28-125(226-18-9-116(177)212-167(226)249)311-100(82)48-295-346(264,265)328-83-29-126(227-19-10-117(178)213-168(227)250)314-103(83)51-298-354(280,281)337-91-37-134(235-69-204-141-148(184)194-64-199-153(141)235)320-99(91)47-293-343(258,259)292-25-3-16-191-123(243)7-5-78-4-6-79-80(26-78)193-63-192-79/h4,6,8-15,17-24,26,44-45,63-75,81-114,124-140,242H,3,5,7,16,25,27-43,46-62H2,1-2H3,(H,191,243)(H,192,193)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H2,176,211,248)(H2,177,212,249)(H2,178,213,250)(H2,179,214,251)(H2,180,215,252)(H2,181,216,253)(H2,182,217,254)(H2,183,218,255)(H2,184,194,199)(H2,185,195,200)(H2,186,196,201)(H2,187,197,202)(H2,188,198,203)(H,223,244,256)(H,224,245,257)(H3,189,219,221,246)(H3,190,220,222,247)

InChIKey

CIVBWIOSWOXNMT-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 49771629