Tpgtgatgaaatg-mephosphonate

Structural Information

Molecular Formula

C₁₃₁H₁₇₁N₄₈O₅₉P₁₁

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(C)OCC3C(CC(O3)N4C=NC5=C4N=C(NC5=O)N)OP(=O)(C)OCC6C(CC(O6)N7C=C(C(=O)NC7=O)C)OP(=O)(C)OCC8C(CC(O8)N9C=NC1=C9N=C(NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C131H171N48O59P11/c1-56-28-168(128(190)164-116(56)182)85-17-61(72(32-180)216-85)228-240(6,195)206-41-81-69(25-93(225-81)177-53-153-101-113(177)157-125(137)161-121(101)187)236-245(11,200)209-36-76-64(20-88(220-76)171-31-59(4)119(185)167-131(171)193)231-242(8,197)215-43-83-70(26-94(227-83)178-54-154-102-114(178)158-126(138)162-122(102)188)237-248(14,203)212-39-79-66(22-90(223-79)173-49-149-97-105(133)141-45-145-109(97)173)233-244(10,199)208-35-75-63(19-87(219-75)170-30-58(3)118(184)166-130(170)192)230-241(7,196)214-42-82-71(27-95(226-82)179-55-155-103-115(179)159-127(139)163-123(103)189)238-249(15,204)213-40-80-68(24-92(224-80)175-51-151-99-107(135)143-47-147-111(99)175)235-247(13,202)211-38-78-67(23-91(222-78)174-50-150-98-106(134)142-46-146-110(98)174)234-246(12,201)210-37-77-65(21-89(221-77)172-48-148-96-104(132)140-44-144-108(96)172)232-243(9,198)207-34-74-62(18-86(218-74)169-29-57(2)117(183)165-129(169)191)229-239(5,194)205-33-73-60(181)16-84(217-73)176-52-152-100-112(176)156-124(136)160-120(100)186/h28-31,44-55,60-95,180-181H,16-27,32-43H2,1-15H3,(H2,132,140,144)(H2,133,141,145)(H2,134,142,146)(H2,135,143,147)(H,164,182,190)(H,165,183,191)(H,166,184,192)(H,167,185,193)(H3,136,156,160,186)(H3,137,157,161,187)(H3,138,158,162,188)(H3,139,159,163,189)

InChIKey

UWALKEUIZIENLB-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16197377