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CAS 882523-82-2

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3′-Thymidylic acid, 2′-deoxyguanylyl-(3′→5′)-2′-deoxyadenylyl-(3′→5′)-2′-deoxycytidylyl-(3′→5′)-thymidylyl-(3′→5′)-2′-deoxyguanylyl-(3′→5′)-2′-deoxyadenylyl-(3′→5′)-2′-deoxycytidylyl-(3′→5′)-, 3′-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] ester

Description:
The chemical substance known as "3′-Thymidylic acid, 2′-deoxyguanylyl-(3′→5′)-2′-deoxyadenylyl-(3′→5′)-2′-deoxycytidylyl-(3′→5′)-thymidylyl-(3′→5′)-2′-deoxyguanylyl-(3′→5′)-2′-deoxyadenylyl-(3′→5′)-2′-deoxycytidylyl-(3′→5′)-, 3′-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] ester" (CAS 882523-82-2) is a complex nucleotide derivative. It features a backbone composed of deoxyribonucleic acid (DNA) components, specifically deoxyadenosine, deoxycytidine, deoxyguanosine, and thymidine, linked through phosphodiester bonds in a 3′ to 5′ orientation. The presence of a hydroxyethoxy substituent suggests potential applications in drug delivery or as a prodrug, enhancing solubility and bioavailability. This compound may exhibit properties typical of nucleotides, such as participating in biochemical pathways, serving as a substrate for polymerases, or acting as a signaling molecule. Its structural complexity indicates potential utility in molecular biology, biochemistry, or therapeutic applications, particularly in the context of nucleic acid research or drug design.
Formula:C84H112N30O52P8
InChI:InChI=1S/C84H112N30O52P8/c1-37-21-109(83(123)105-75(37)117)59-16-42(160-167(125,126)143-12-11-142-10-9-141-8-7-115)50(154-59)26-147-169(129,130)161-40-14-57(107-5-3-55(85)99-81(107)121)152-48(40)24-146-173(137,138)165-45-19-62(112-34-96-66-70(88)92-32-94-72(66)112)157-53(45)29-149-174(139,140)166-46-20-64(114-36-98-68-74(114)102-80(90)104-78(68)120)158-54(46)30-150-171(133,134)163-43-17-60(110-22-38(2)76(118)106-84(110)124)155-51(43)27-148-170(131,132)162-41-15-58(108-6-4-56(86)100-82(108)122)153-49(41)25-145-172(135,136)164-44-18-61(111-33-95-65-69(87)91-31-93-71(65)111)156-52(44)28-144-168(127,128)159-39-13-63(151-47(39)23-116)113-35-97-67-73(113)101-79(89)103-77(67)119/h3-6,21-22,31-36,39-54,57-64,115-116H,7-20,23-30H2,1-2H3,(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H2,85,99,121)(H2,86,100,122)(H2,87,91,93)(H2,88,92,94)(H,105,117,123)(H,106,118,124)(H3,89,101,103,119)(H3,90,102,104,120)/t39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,57+,58+,59+,60+,61+,62+,63+,64+/m0/s1
InChI key:InChIKey=ZDYFZRLBANDWGS-ZCNYWLNKSA-N
SMILES:O(P(OC[C@@H]1[C@@H](OP(OC[C@@H]2[C@@H](OP(OC[C@@H]3[C@@H](OP(OCCOCCOCCO)(=O)O)C[C@@H](O3)N4C(=O)NC(=O)C(C)=C4)(=O)O)C[C@@H](O2)N5C(=O)N=C(N)C=C5)(=O)O)C[C@@H](O1)N6C=7C(N=C6)=C(N)N=CN7)(=O)O)[C@H]8C[C@H](N9C%10=C(N=C9)C(=O)N=C(N)N%10)O[C@@H]8COP(O[C@@H]%11[C@@H](COP(O[C@@H]%12[C@@H](COP(O[C@@H]%13[C@@H](COP(O[C@H]%14C[C@@H](O[C@@H]%14CO)N%15C%16=C(N=C%15)C(=O)N=C(N)N%16)(=O)O)O[C@H](C%13)N%17C=%18C(N=C%17)=C(N)N=CN%18)(=O)O)O[C@H](C%12)N%19C(=O)N=C(N)C=C%19)(=O)O)O[C@H](C%11)N%20C(=O)NC(=O)C(C)=C%20)(=O)O
Synonyms:
  • 3′-Thymidylic acid, 2′-deoxyguanylyl-(3′→5′)-2′-deoxyadenylyl-(3′→5′)-2′-deoxycytidylyl-(3′→5′)-thymidylyl-(3′→5′)-2′-deoxyguanylyl-(3′→5′)-2′-deoxyadenylyl-(3′→5′)-2′-deoxycytidylyl-(3′→5′)-, 3′-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] ester
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