M(dn17ac)

Structural Information

Molecular Formula

C₁₆₇H₂₁₁N₆₁O₁₀₁P₁₆S

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(OC1CO)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=NC1=O)N)S)N1C=C(C(=O)NC1=O)C)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=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)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/C167H211N61O101P16S/c1-65-28-214(162(243)206-147(65)231)111-14-74(316-333(255,256)283-37-90-73(13-110(299-90)213-10-8-107(169)198-160(213)241)315-332(253,254)284-38-91-78(18-115(300-91)218-32-69(5)151(235)210-166(218)247)321-339(267,268)295-50-103-86(26-123(312-103)227-63-195-131-145(227)201-157(177)204-154(131)238)328-344(277,278)293-46-99-81(21-118(308-99)221-57-189-125-134(171)179-52-184-139(125)221)323-330(249,250)281-36-89-71(230)11-108(298-89)226-62-194-130-144(226)200-156(176)203-153(130)237)96(305-111)43-289-340(269,270)324-83-23-120(223-59-191-127-136(173)181-54-186-141(127)223)310-101(83)48-292-342(273,274)327-85-25-122(225-61-193-129-138(175)183-56-188-143(129)225)309-100(85)47-291-338(265,266)320-79-19-116(219-33-70(6)152(236)211-167(219)248)303-94(79)41-287-336(261,262)318-76-16-113(216-30-67(3)149(233)208-164(216)245)301-92(76)39-285-334(257,258)317-75-15-112(215-29-66(2)148(232)207-163(215)244)302-93(75)40-286-335(259,260)319-77-17-114(217-31-68(4)150(234)209-165(217)246)304-95(77)42-288-337(263,264)322-80-20-117(220-34-105(346)133(170)199-161(220)242)306-97(80)44-290-341(271,272)325-84-24-121(224-60-192-128-137(174)182-55-187-142(128)224)311-102(84)49-294-345(279,280)329-87-27-124(228-64-196-132-146(228)202-158(178)205-155(132)239)313-104(87)51-296-343(275,276)326-82-22-119(222-58-190-126-135(172)180-53-185-140(126)222)307-98(82)45-282-331(251,252)314-72-12-109(297-88(72)35-229)212-9-7-106(168)197-159(212)240/h7-10,28-34,52-64,71-104,108-124,229-230,346H,11-27,35-51H2,1-6H3,(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H2,168,197,240)(H2,169,198,241)(H2,170,199,242)(H2,171,179,184)(H2,172,180,185)(H2,173,181,186)(H2,174,182,187)(H2,175,183,188)(H,206,231,243)(H,207,232,244)(H,208,233,245)(H,209,234,246)(H,210,235,247)(H,211,236,248)(H3,176,200,203,237)(H3,177,201,204,238)(H3,178,202,205,239)

InChIKey

FLTVTPXYXAXREY-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16186163