Apcccaattctga-mephosphonate

Structural Information

Molecular Formula

C₁₂₇H₁₇₀N₄₃O₅₈P₁₁

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(C)OC3CC(OC3COP(=O)(C)OC4CC(OC4COP(=O)(C)OC5CC(OC5COP(=O)(C)OC6CC(OC6COP(=O)(C)OC7CC(OC7COP(=O)(C)OC8CC(OC8COP(=O)(C)OC9CC(OC9COP(=O)(C)OC1CC(OC1COP(=O)(C)OC1CC(OC1CO)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=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C127H170N43O58P11/c1-59-35-163(125(181)156-116(59)173)95-29-68(223-235(10,190)199-43-79-66(27-93(211-79)161-21-17-88(130)152-123(161)179)221-233(8,188)200-44-80-70(31-97(212-80)165-37-61(3)118(175)158-127(165)183)225-237(12,192)205-49-85-73(34-101(217-85)170-58-149-106-115(170)154-120(136)155-119(106)176)226-229(4,184)195-39-75-62(172)23-90(207-75)166-54-145-102-107(132)137-50-141-111(102)166)81(213-95)45-201-236(11,191)224-69-30-96(164-36-60(2)117(174)157-126(164)182)214-82(69)46-202-238(13,193)227-71-32-99(168-56-147-104-109(134)139-52-143-113(104)168)216-84(71)48-204-239(14,194)228-72-33-100(169-57-148-105-110(135)140-53-144-114(105)169)215-83(72)47-203-234(9,189)222-67-28-94(162-22-18-89(131)153-124(162)180)210-78(67)42-198-232(7,187)220-65-26-92(160-20-16-87(129)151-122(160)178)209-77(65)41-197-231(6,186)219-64-25-91(159-19-15-86(128)150-121(159)177)208-76(64)40-196-230(5,185)218-63-24-98(206-74(63)38-171)167-55-146-103-108(133)138-51-142-112(103)167/h15-22,35-37,50-58,62-85,90-101,171-172H,23-34,38-49H2,1-14H3,(H2,128,150,177)(H2,129,151,178)(H2,130,152,179)(H2,131,153,180)(H2,132,137,141)(H2,133,138,142)(H2,134,139,143)(H2,135,140,144)(H,156,173,181)(H,157,174,182)(H,158,175,183)(H3,136,154,155,176)

InChIKey

WJKCNFZYDNCKNK-UHFFFAOYSA-N

Compound name

1-[4-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[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-(hydroxymethyl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16197376