Basic Information |
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| Product Name： | DNA, D(G-A-G-G-C-C-C-A-C-A-G-C-T-T-T-C-A-C) |
| CAS： | 950958-52-8 |
| English Synonyms： | DNA, D(G-A-G-G-C-C-C-A-C-A-G-C-T-T-T-C-A-C) |
| MDL Number.： | MFCD16037632 |
| H bond acceptor： | 172 |
| H bond donor： | 41 |
| Smile： | Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=O)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1CO)n1cnc2c1nc([nH]c2=O)N)n1cnc2c1ncnc2N)n1cnc2c1nc([nH]c2=O)N)n1cnc2c1nc([nH]c2=O)N)n1ccc(nc1=O)N)n1ccc(nc1=O)N)n1ccc(nc1=O)N)n1cnc2c1ncnc2N)n1ccc(nc1=O)N)n1cnc2c1ncnc2N)n1cnc2c1nc([nH]c2=O)N)n1ccc(nc1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n1cc(c(=O)[nH]c1=O)C)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n1cc(c(=O)[nH]c1=O)C)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1ncnc2N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)O |
| InChi： | InChI=1S/C173H220N67O105P17/c1-69-36-230(171(257)220-153(69)243)122-26-80(336-354(276,277)298-43-94-78(24-120(315-94)228-16-9-113(179)210-169(228)255)334-351(270,271)305-51-102-83(29-125(323-102)233-61-197-133-141(181)189-57-193-145(133)233)339-346(260,261)294-40-91-72(242)18-115(312-91)223-11-4-108(174)205-164(223)250)99(320-122)48-303-356(280,281)338-82-28-124(232-38-71(3)155(245)222-173(232)259)321-100(82)49-304-355(278,279)337-81-27-123(231-37-70(2)154(244)221-172(231)258)319-98(81)47-302-350(268,269)332-76-22-118(226-14-7-111(177)208-167(226)253)318-97(76)46-301-359(286,287)343-87-33-130(238-66-202-138-150(238)213-161(186)217-157(138)247)326-105(87)54-309-361(290,291)342-86-32-128(236-64-200-136-144(184)192-60-196-148(136)236)325-104(86)53-307-353(274,275)335-79-25-121(229-17-10-114(180)211-170(229)256)316-95(79)44-299-357(282,283)340-85-31-127(235-63-199-135-143(183)191-59-195-147(135)235)324-103(85)52-306-352(272,273)333-77-23-119(227-15-8-112(178)209-168(227)254)314-93(77)42-297-348(264,265)330-74-20-116(224-12-5-109(175)206-165(224)251)313-92(74)41-296-349(266,267)331-75-21-117(225-13-6-110(176)207-166(225)252)317-96(75)45-300-358(284,285)344-88-34-131(239-67-203-139-151(239)214-162(187)218-158(139)248)328-107(88)56-310-362(292,293)345-89-35-132(240-68-204-140-152(240)215-163(188)219-159(140)249)327-106(89)55-308-360(288,289)341-84-30-126(234-62-198-134-142(182)190-58-194-146(134)234)322-101(84)50-295-347(262,263)329-73-19-129(311-90(73)39-241)237-65-201-137-149(237)212-160(185)216-156(137)246/h4-17,36-38,57-68,72-107,115-132,241-242H,18-35,39-56H2,1-3H3,(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H2,174,205,250)(H2,175,206,251)(H2,176,207,252)(H2,177,208,253)(H2,178,209,254)(H2,179,210,255)(H2,180,211,256)(H2,181,189,193)(H2,182,190,194)(H2,183,191,195)(H2,184,192,196)(H,220,243,257)(H,221,244,258)(H,222,245,259)(H3,185,212,216,246)(H3,186,213,217,247)(H3,187,214,218,248)(H3,188,215,219,249)/t72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+/m0/s1 |
| InChiKey： | InChIKey=MWFOLIDQCWZWQI-FLBHVVSUSA-N |
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