Ctgctagagatddt

Structural Information

Molecular Formula

C₁₁₈H₁₅₀N₄₄O₇₃P₁₂

SMILES

CC1=CN(C(=O)NC1=O)C2CCC(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)O)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=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(=O)NC1=O)C

InChI

InChI=1S/C118H150N44O73P12/c1-47-22-153(115(172)147-103(47)163)76-6-5-51(213-76)26-202-237(179,180)225-54-13-79(154-23-48(2)104(164)148-116(154)173)216-65(54)29-206-243(191,192)230-57-16-82(157-41-133-88-94(121)127-38-130-97(88)157)220-69(57)33-208-246(197,198)234-61-20-86(161-45-137-92-101(161)142-111(125)145-108(92)168)224-73(61)37-212-245(195,196)232-59-18-84(159-43-135-90-96(123)129-40-132-99(90)159)221-70(59)34-209-247(199,200)235-62-21-87(162-46-138-93-102(162)143-112(126)146-109(93)169)223-72(62)36-211-244(193,194)231-58-17-83(158-42-134-89-95(122)128-39-131-98(89)158)219-68(58)32-207-240(185,186)228-56-15-81(156-25-50(4)106(166)150-118(156)175)218-67(56)31-205-239(183,184)227-53-12-78(152-10-8-75(120)140-114(152)171)215-64(53)28-203-242(189,190)233-60-19-85(160-44-136-91-100(160)141-110(124)144-107(91)167)222-71(60)35-210-241(187,188)229-55-14-80(155-24-49(3)105(165)149-117(155)174)217-66(55)30-204-238(181,182)226-52-11-77(151-9-7-74(119)139-113(151)170)214-63(52)27-201-236(176,177)178/h7-10,22-25,38-46,51-73,76-87H,5-6,11-21,26-37H2,1-4H3,(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H2,119,139,170)(H2,120,140,171)(H2,121,127,130)(H2,122,128,131)(H2,123,129,132)(H,147,163,172)(H,148,164,173)(H,149,165,174)(H,150,166,175)(H2,176,177,178)(H3,124,141,144,167)(H3,125,142,145,168)(H3,126,143,146,169)

InChIKey

ASTZHSAIEAJXPK-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16197335