D(5'-gctcccgggctcgacc-3') methylphosphonate oligonucleotide

Structural Information

Molecular Formula

C₁₆₇H₂₂₅N₅₈O₈₀P₁₅

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(C)OC3CC(OC3COP(=O)(C)OC4CC(OC4CO)N5C=NC6=C5N=C(NC6=O)N)N7C=CC(=NC7=O)N)OP(=O)(C)OCC8C(CC(O8)N9C=CC(=NC9=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=C1N=C(NC2=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)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=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=CC(=NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C167H225N58O80P15/c1-75-50-218(166(243)208-146(75)228)125-43-86(102(284-125)61-268-310(7,249)295-80-37-119(212-28-20-111(170)192-160(212)237)277-95(80)54-261-307(4,246)291-78-35-128(275-93(78)52-226)221-70-185-134-141(221)198-153(177)203-148(134)230)299-314(11,253)264-58-99-82(39-121(281-99)214-30-22-113(172)194-162(214)239)294-309(6,248)262-56-97-81(38-120(279-97)213-29-21-112(171)193-161(213)238)293-308(5,247)263-57-98-84(41-123(280-98)216-32-24-115(174)196-164(216)241)297-312(9,251)272-65-106-91(48-131(288-106)224-73-188-137-144(224)201-156(180)206-151(137)233)304-319(16,258)274-67-108-92(49-132(290-108)225-74-189-138-145(225)202-157(181)207-152(138)234)305-320(17,259)273-66-107-89(46-129(289-107)222-71-186-135-142(222)199-154(178)204-149(135)231)302-317(14,256)267-60-101-83(40-122(283-101)215-31-23-114(173)195-163(215)240)296-311(8,250)269-62-103-87(44-126(285-103)219-51-76(2)147(229)209-167(219)244)300-315(12,254)265-59-100-85(42-124(282-100)217-33-25-116(175)197-165(217)242)298-313(10,252)271-64-105-90(47-130(287-105)223-72-187-136-143(223)200-155(179)205-150(136)232)303-318(15,257)270-63-104-88(45-127(286-104)220-69-184-133-139(176)182-68-183-140(133)220)301-316(13,255)266-55-96-79(36-118(278-96)211-27-19-110(169)191-159(211)236)292-306(3,245)260-53-94-77(227)34-117(276-94)210-26-18-109(168)190-158(210)235/h18-33,50-51,68-74,77-108,117-132,226-227H,34-49,52-67H2,1-17H3,(H2,168,190,235)(H2,169,191,236)(H2,170,192,237)(H2,171,193,238)(H2,172,194,239)(H2,173,195,240)(H2,174,196,241)(H2,175,197,242)(H2,176,182,183)(H,208,228,243)(H,209,229,244)(H3,177,198,203,230)(H3,178,199,204,231)(H3,179,200,205,232)(H3,180,201,206,233)(H3,181,202,207,234)

InChIKey

PEUVYVTWVJGZMM-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16130306