Ac3-oligo

Structural Information

Molecular Formula

C₁₇₀H₂₁₂N₆₄O₁₀₄P₁₆

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)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C170H212N64O104P16/c1-62-25-218(164(251)211-143(62)237)104-10-71(324-339(258,259)290-33-87-69(236)8-103(307-87)228-55-190-123-136(228)197-157(174)204-150(123)244)88(308-104)34-297-348(276,277)334-81-20-115(230-57-192-125-138(230)199-159(176)206-152(125)246)318-98(81)44-301-346(272,273)330-77-16-110(224-31-68(7)149(243)217-170(224)257)312-92(77)38-295-342(264,265)326-73-12-106(220-27-64(3)145(239)213-166(220)253)309-89(73)35-292-343(266,267)327-74-13-107(221-28-65(4)146(240)214-167(221)254)313-93(74)39-296-347(274,275)331-79-18-112(226-53-188-121-131(172)182-50-185-134(121)226)317-97(79)43-300-352(284,285)336-83-22-117(232-59-194-127-140(232)201-161(178)208-154(127)248)322-102(83)48-305-354(288,289)338-85-24-119(234-61-196-129-142(234)203-163(180)210-156(129)250)320-100(85)46-303-351(282,283)333-80-19-113(227-54-189-122-132(173)183-51-186-135(122)227)316-96(80)42-299-345(270,271)329-76-15-109(223-30-67(6)148(242)216-169(223)256)311-91(76)37-294-341(262,263)325-72-11-105(219-26-63(2)144(238)212-165(219)252)310-90(72)36-293-344(268,269)328-75-14-108(222-29-66(5)147(241)215-168(222)255)314-94(75)40-298-349(278,279)335-82-21-116(231-58-193-126-139(231)200-160(177)207-153(126)247)321-101(82)47-304-353(286,287)337-84-23-118(233-60-195-128-141(233)202-162(179)209-155(128)249)319-99(84)45-302-350(280,281)332-78-17-111(225-52-187-120-130(171)181-49-184-133(120)225)315-95(78)41-291-340(260,261)323-70-9-114(306-86(70)32-235)229-56-191-124-137(229)198-158(175)205-151(124)245/h25-31,49-61,69-119,235-236H,8-24,32-48H2,1-7H3,(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)(H2,171,181,184)(H2,172,182,185)(H2,173,183,186)(H,211,237,251)(H,212,238,252)(H,213,239,253)(H,214,240,254)(H,215,241,255)(H,216,242,256)(H,217,243,257)(H3,174,197,204,244)(H3,175,198,205,245)(H3,176,199,206,246)(H3,177,200,207,247)(H3,178,201,208,248)(H3,179,202,209,249)(H3,180,203,210,250)

InChIKey

PQCZZLRQMMEMQI-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133609