Mr-20 oligonucleotide-cholesterol deriv.

Structural Information

Molecular Formula

C₂₂₄H₂₉₅N₇₃O₁₂₆P₂₀

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NCC(=O)OC3CCC4(C5CCC6(C(C5CC=C4C3)CCC6C(C)CCCC(C)C)C)C)O)OP(=O)(O)OCC7C(CC(O7)N8C=NC9=C8N=C(NC9=O)N)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=C(C(=O)NC1=O)C)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=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=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=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C224H295N73O126P20/c1-92(2)13-12-14-93(3)103-17-18-104-102-16-15-100-33-101(19-26-223(100,10)105(102)20-27-224(103,104)11)384-171(299)54-252-424(324,325)364-62-127-111(39-156(390-127)283-55-94(4)192(300)272-217(283)318)409-430(336,337)377-75-140-120(48-165(399-140)292-86-246-175-186(292)259-206(233)266-199(175)307)418-436(348,349)367-64-129-107(35-152(387-129)279-29-22-147(226)254-213(279)314)405-426(328,329)366-63-128-108(36-153(386-128)280-30-23-148(227)255-214(280)315)406-427(330,331)371-68-133-114(42-159(392-133)286-58-97(7)195(303)275-220(286)321)412-434(344,345)381-78-143-124(52-169(402-143)296-90-250-179-190(296)263-210(237)270-203(179)311)423-443(362,363)383-80-145-125(53-170(404-145)297-91-251-180-191(297)264-211(238)271-204(180)312)422-442(360,361)376-73-138-118(46-163(397-138)290-84-244-173-182(231)240-82-242-184(173)290)417-440(356,357)382-79-144-122(50-167(403-144)294-88-248-177-188(294)261-208(235)268-201(177)309)420-438(352,353)369-66-131-110(38-155(389-131)282-32-25-150(229)257-216(282)317)408-429(334,335)372-69-134-113(41-158(393-134)285-57-96(6)194(302)274-219(285)320)411-433(342,343)379-76-141-121(49-166(400-141)293-87-247-176-187(293)260-207(234)267-200(176)308)419-437(350,351)368-65-130-109(37-154(388-130)281-31-24-149(228)256-215(281)316)407-428(332,333)370-67-132-112(40-157(391-132)284-56-95(5)193(301)273-218(284)319)410-431(338,339)373-70-135-115(43-160(394-135)287-59-98(8)196(304)276-221(287)322)413-435(346,347)380-77-142-123(51-168(401-142)295-89-249-178-189(295)262-209(236)269-202(178)310)421-441(358,359)375-72-137-117(45-162(396-137)289-83-243-172-181(230)239-81-241-183(172)289)416-439(354,355)374-71-136-116(44-161(395-136)288-60-99(9)197(305)277-222(288)323)414-432(340,341)378-74-139-119(47-164(398-139)291-85-245-174-185(291)258-205(232)265-198(174)306)415-425(326,327)365-61-126-106(298)34-151(385-126)278-28-21-146(225)253-212(278)313/h15,21-25,28-32,55-60,81-93,101-145,151-170,298H,12-14,16-20,26-27,33-54,61-80H2,1-11H3,(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)(H,362,363)(H2,225,253,313)(H2,226,254,314)(H2,227,255,315)(H2,228,256,316)(H2,229,257,317)(H2,230,239,241)(H2,231,240,242)(H2,252,324,325)(H,272,300,318)(H,273,301,319)(H,274,302,320)(H,275,303,321)(H,276,304,322)(H,277,305,323)(H3,232,258,265,306)(H3,233,259,266,307)(H3,234,260,267,308)(H3,235,261,268,309)(H3,236,262,269,310)(H3,237,263,270,311)(H3,238,264,271,312)

InChIKey

XSTAJQDYPJXJFC-UHFFFAOYSA-N

Compound name

[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-(2-amino-6-oxo-1H-purin-9-yl)-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-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-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-(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-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-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-(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]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-(4-amino-2-oxopyrimidin-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-(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 16130144