Tpaaagctcccag-mephosphonate

Structural Information

Molecular Formula

C₁₂₇H₁₆₉N₄₆O₅₇P₁₁

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(C)OCC3C(CC(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(C)OCC6C(CC(O6)N7C=NC8=C(N=CN=C87)N)OP(=O)(C)OCC9C(CC(O9)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(C)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C127H169N46O57P11/c1-58-34-166(126(184)160-116(58)176)93-23-61(72(36-174)208-93)220-232(4,187)198-43-79-68(30-96(215-79)169-53-147-101-107(133)139-49-143-111(101)169)227-239(11,194)205-45-81-69(31-97(217-81)170-54-148-102-108(134)140-50-144-112(102)170)228-240(12,195)206-46-82-70(32-98(218-82)171-55-149-103-109(135)141-51-145-113(103)171)229-241(13,196)207-47-83-71(33-99(219-83)173-57-151-105-115(173)157-121(137)159-119(105)179)230-238(10,193)202-41-77-64(26-91(213-77)164-20-16-86(130)154-124(164)182)223-235(7,190)203-42-78-66(28-94(214-78)167-35-59(2)117(177)161-127(167)185)225-237(9,192)201-40-76-63(25-90(212-76)163-19-15-85(129)153-123(163)181)222-234(6,189)199-38-74-62(24-89(210-74)162-18-14-84(128)152-122(162)180)221-233(5,188)200-39-75-65(27-92(211-75)165-21-17-87(131)155-125(165)183)224-236(8,191)204-44-80-67(29-95(216-80)168-52-146-100-106(132)138-48-142-110(100)168)226-231(3,186)197-37-73-60(175)22-88(209-73)172-56-150-104-114(172)156-120(136)158-118(104)178/h14-21,34-35,48-57,60-83,88-99,174-175H,22-33,36-47H2,1-13H3,(H2,128,152,180)(H2,129,153,181)(H2,130,154,182)(H2,131,155,183)(H2,132,138,142)(H2,133,139,143)(H2,134,140,144)(H2,135,141,145)(H,160,176,184)(H,161,177,185)(H3,136,156,158,178)(H3,137,157,159,179)

InChIKey

DQZZQXOPQLOWQT-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16197375