Fos-20 oligonucleotide-cholesterol deriv.

Structural Information

Molecular Formula

C₂₂₄H₂₉₃N₇₉O₁₁₈P₂₀

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(NCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)O)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C224H293N79O118P20/c1-96(2)11-10-12-97(3)105-15-16-106-104-14-13-102-31-103(17-24-223(102,8)107(104)18-25-224(105,106)9)382-173(305)52-268-422(322,323)362-58-129-114(38-159(389-129)290-54-99(5)205(307)281-220(290)319)408-429(336,337)369-64-135-116(40-161(390-135)292-56-101(7)207(309)283-222(292)321)410-431(340,341)380-75-146-126(50-171(401-146)302-94-266-183-202(302)275-212(239)278-209(183)311)420-440(358,359)376-71-142-123(47-168(397-142)299-91-263-180-191(236)247-83-255-199(180)299)417-437(352,353)375-70-141-121(45-166(396-141)297-89-261-178-189(234)245-81-253-197(178)297)415-435(348,349)373-68-139-118(42-163(394-139)294-86-258-175-186(231)242-78-250-194(175)294)412-432(342,343)367-62-133-110(34-155(387-133)285-27-20-149(226)270-215(285)314)404-425(328,329)364-59-130-109(33-154(384-130)284-26-19-148(225)269-214(284)313)403-424(326,327)365-60-131-111(35-156(385-131)286-28-21-150(227)271-216(286)315)407-428(334,335)379-74-145-125(49-170(400-145)301-93-265-182-201(301)274-211(238)277-208(182)310)419-439(356,357)378-73-144-124(48-169(399-144)300-92-264-181-192(237)248-84-256-200(181)300)418-438(354,355)381-76-147-127(51-172(402-147)303-95-267-184-203(303)276-213(240)279-210(184)312)421-441(360,361)377-72-143-122(46-167(398-143)298-90-262-179-190(235)246-82-254-198(179)298)416-436(350,351)374-69-140-119(43-164(395-140)295-87-259-176-187(232)243-79-251-195(176)295)413-433(344,345)368-63-134-113(37-158(388-134)288-30-23-152(229)273-218(288)317)406-427(332,333)372-67-138-120(44-165(393-138)296-88-260-177-188(233)244-80-252-196(177)296)414-434(346,347)370-65-136-115(39-160(391-136)291-55-100(6)206(308)282-221(291)320)409-430(338,339)366-61-132-112(36-157(386-132)287-29-22-151(228)272-217(287)316)405-426(330,331)371-66-137-117(41-162(392-137)293-85-257-174-185(230)241-77-249-193(174)293)411-423(324,325)363-57-128-108(304)32-153(383-128)289-53-98(4)204(306)280-219(289)318/h13,19-23,26-30,53-56,77-97,103-147,153-172,304H,10-12,14-18,24-25,31-52,57-76H2,1-9H3,(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,352,353)(H,354,355)(H,356,357)(H,358,359)(H,360,361)(H2,225,269,313)(H2,226,270,314)(H2,227,271,315)(H2,228,272,316)(H2,229,273,317)(H2,230,241,249)(H2,231,242,250)(H2,232,243,251)(H2,233,244,252)(H2,234,245,253)(H2,235,246,254)(H2,236,247,255)(H2,237,248,256)(H2,268,322,323)(H,280,306,318)(H,281,307,319)(H,282,308,320)(H,283,309,321)(H3,238,274,277,310)(H3,239,275,278,311)(H3,240,276,279,312)

InChIKey

KLHYMIGDZWAVNR-UHFFFAOYSA-N

Compound name

[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-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-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]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]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-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-(4-amino-2-oxopyrimidin-1-yl)oxolan-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-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxoethyl]phosphonamidic acid

Related CIDs

• CID 16130386