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

Structural Information

Molecular Formula

C₁₅₂H₂₁₁N₇₄O₇₉P₁₅

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NC3CC(OC3COP(=O)(NC4CC(OC4CO)N5C=NC6=C5N=C(NC6=O)N)O)N7C=CC(=NC7=O)N)O)NP(=O)(O)OCC8C(CC(O8)N9C=CC(=NC9=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)NP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)N

InChI

InChI=1S/C152H211N74O79P15/c1-60-35-219(151(243)194-131(60)228)110-28-71(87(299-110)46-283-310(253,254)200-65-22-104(213-13-5-96(156)178-145(213)237)292-80(65)39-276-306(245,246)196-63-20-113(290-78(63)37-227)222-55-171-119-126(222)184-138(163)189-133(119)230)204-314(261,262)279-43-84-67(24-106(296-84)215-15-7-98(158)180-147(215)239)199-309(251,252)277-41-82-66(23-105(294-82)214-14-6-97(157)179-146(214)238)198-308(249,250)278-42-83-69(26-108(295-83)217-17-9-100(160)182-149(217)241)202-312(257,258)287-50-91-76(33-116(303-91)225-58-174-122-129(225)187-141(166)192-136(122)233)209-319(271,272)289-52-93-77(34-117(305-93)226-59-175-123-130(226)188-142(167)193-137(123)234)210-320(273,274)288-51-92-74(31-114(304-92)223-56-172-120-127(223)185-139(164)190-134(120)231)207-317(267,268)282-45-86-68(25-107(298-86)216-16-8-99(159)181-148(216)240)201-311(255,256)284-47-88-72(29-111(300-88)220-36-61(2)132(229)195-152(220)244)205-315(263,264)280-44-85-70(27-109(297-85)218-18-10-101(161)183-150(218)242)203-313(259,260)286-49-90-75(32-115(302-90)224-57-173-121-128(224)186-140(165)191-135(121)232)208-318(269,270)285-48-89-73(30-112(301-89)221-54-170-118-124(162)168-53-169-125(118)221)206-316(265,266)281-40-81-64(21-103(293-81)212-12-4-95(155)177-144(212)236)197-307(247,248)275-38-79-62(153)19-102(291-79)211-11-3-94(154)176-143(211)235/h3-18,35-36,53-59,62-93,102-117,227H,19-34,37-52,153H2,1-2H3,(H2,154,176,235)(H2,155,177,236)(H2,156,178,237)(H2,157,179,238)(H2,158,180,239)(H2,159,181,240)(H2,160,182,241)(H2,161,183,242)(H2,162,168,169)(H,194,228,243)(H,195,229,244)(H2,196,245,246)(H2,197,247,248)(H2,198,249,250)(H2,199,251,252)(H2,200,253,254)(H2,201,255,256)(H2,202,257,258)(H2,203,259,260)(H2,204,261,262)(H2,205,263,264)(H2,206,265,266)(H2,207,267,268)(H2,208,269,270)(H2,209,271,272)(H2,210,273,274)(H3,163,184,189,230)(H3,164,185,190,231)(H3,165,186,191,232)(H3,166,187,192,233)(H3,167,188,193,234)

InChIKey

MKKDKXCDQRANRU-UHFFFAOYSA-N

Compound name

[3-amino-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-[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-[[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[[2-[[[[2-[[[[2-[[[[2-[[[[2-[[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]amino]-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]phosphonamidic acid

Related CIDs

• CID 16130305