Rm-20 oligonucleotide-lipophilic group

Structural Information

Molecular Formula

C₂₁₂H₂₈₂N₈₂O₁₁₇P₂₀

SMILES

CCCCCCCCCCCCCCCC(=O)NCCCNP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=C(NC3=O)N)OP(=O)(O)OCC4C(CC(O4)N5C=CC(=NC5=O)N)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C(N=CN=C87)N)OP(=O)(O)OCC9C(CC(O9)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C212H282N82O117P20/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-143(296)231-26-17-27-255-412(313,314)353-58-117-106(50-159(383-117)290-89-250-170-187(290)263-199(226)268-194(170)299)402-422(333,334)358-63-122-102(41-150(378-122)280-33-24-141(218)261-209(280)309)398-418(325,326)364-68-127-107(45-154(384-127)285-84-245-165-176(221)233-78-239-182(165)285)403-426(341,342)363-67-126-105(44-153(382-126)283-56-95(3)193(298)274-212(283)312)401-421(331,332)357-62-121-101(40-149(377-121)279-32-23-140(217)260-208(279)308)397-417(323,324)365-69-128-108(46-155(385-128)286-85-246-166-177(222)234-79-240-183(166)286)404-427(343,344)368-72-131-111(49-158(388-131)289-88-249-169-180(225)237-82-243-186(169)289)407-430(349,350)370-74-133-113(52-161(390-133)292-91-252-172-189(292)265-201(228)270-196(172)301)410-425(339,340)361-65-124-103(42-151(380-124)281-34-25-142(219)262-210(281)310)399-419(327,328)367-71-130-109(47-156(387-130)287-86-247-167-178(223)235-80-241-184(167)287)405-428(345,346)369-73-132-112(51-160(389-132)291-90-251-171-188(291)264-200(227)269-195(171)300)409-424(337,338)360-64-123-99(38-147(379-123)277-30-21-138(215)258-206(277)306)395-415(319,320)362-66-125-104(43-152(381-125)282-55-94(2)192(297)273-211(282)311)400-420(329,330)356-61-120-98(37-146(376-120)276-29-20-137(214)257-205(276)305)394-414(317,318)355-60-119-100(39-148(375-119)278-31-22-139(216)259-207(278)307)396-416(321,322)366-70-129-110(48-157(386-129)288-87-248-168-179(224)236-81-242-185(168)288)406-429(347,348)371-75-134-115(54-163(391-134)294-93-254-174-191(294)267-203(230)272-198(174)303)411-431(351,352)372-76-135-114(53-162(392-135)293-92-253-173-190(293)266-202(229)271-197(173)302)408-423(335,336)359-59-118-97(36-145(374-118)275-28-19-136(213)256-204(275)304)393-413(315,316)354-57-116-96(295)35-144(373-116)284-83-244-164-175(220)232-77-238-181(164)284/h19-25,28-34,55-56,77-93,96-135,144-163,295H,4-18,26-27,35-54,57-76H2,1-3H3,(H,231,296)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H2,213,256,304)(H2,214,257,305)(H2,215,258,306)(H2,216,259,307)(H2,217,260,308)(H2,218,261,309)(H2,219,262,310)(H2,220,232,238)(H2,221,233,239)(H2,222,234,240)(H2,223,235,241)(H2,224,236,242)(H2,225,237,243)(H2,255,313,314)(H,273,297,311)(H,274,298,312)(H3,226,263,268,299)(H3,227,264,269,300)(H3,228,265,270,301)(H3,229,266,271,302)(H3,230,267,272,303)/t96?,97?,98?,99?,100?,101?,102?,103?,104?,105?,106-,107?,108?,109?,110?,111?,112?,113?,114?,115?,116?,117+,118?,119?,120?,121?,122?,123?,124?,125?,126?,127?,128?,129?,130?,131?,132?,133?,134?,135?,144?,145?,146?,147?,148?,149?,150?,151?,152?,153?,154?,155?,156?,157?,158?,159+,160?,161?,162?,163?/m0/s1

InChIKey

MTNBAYQEOHERSG-JGJYTDKCSA-N

Compound name

[(2R,3S,5R)-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-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-N-[3-(hexadecanoylamino)propyl]phosphonamidic acid

Related CIDs

• CID 16130376