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Substance Name: Thymidine, 2'-deoxycytidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxyadenylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-thymidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxyadenylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-2'-deoxyadenylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-thymidylyl-(3'.5')-
RN: 94280-17-8
InChIKey: MLTPBOFZJTVYJP-UHFFFAOYSA-N

Molecular Formula

  • C144-H184-N54-O88-P14

Molecular Weight

  • 4512.9636
 
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Names and Synonyms

Synonym

  • EINECS 304-865-8

Systematic Name

  • Thymidine, 2'-deoxycytidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxyadenylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-thymidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxyadenylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-2'-deoxyadenylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-thymidylyl-(3'.5')-

Registry Numbers

CAS Registry Number

  • 94280-17-8

System Generated Number

  • 0094280178

Structure Descriptors

InChI

1S/C144H184N54O88P14/c1-58-31-190(142(213)181-127(58)201)97-16-61(200)77(259-97)35-244-287(216,217)279-68-23-104(191-32-59(2)128(202)182-143(191)214)265-83(68)41-250-297(236,237)284-73-28-109(196-55-166-115-124(196)175-133(154)178-130(115)204)270-88(73)46-255-292(226,227)277-66-21-102(188-14-8-95(149)173-140(188)211)264-82(66)40-249-296(234,235)282-71-26-107(194-53-164-113-119(152)158-50-161-122(113)194)269-87(71)45-254-300(242,243)286-75-30-111(198-57-168-117-126(198)177-135(156)180-132(117)206)271-89(75)47-256-293(228,229)278-67-22-103(189-15-9-96(150)174-141(189)212)263-81(67)39-248-295(232,233)281-70-25-106(193-52-163-112-118(151)157-49-160-121(112)193)267-85(70)43-252-291(224,225)276-65-20-101(187-13-7-94(148)172-139(187)210)262-80(65)38-247-294(230,231)280-69-24-105(192-33-60(3)129(203)183-144(192)215)266-84(69)42-251-298(238,239)285-74-29-110(197-56-167-116-125(197)176-134(155)179-131(116)205)272-90(74)48-257-299(240,241)283-72-27-108(195-54-165-114-120(153)159-51-162-123(114)195)268-86(72)44-253-290(222,223)275-64-19-100(186-12-6-93(147)171-138(186)209)261-79(64)37-246-289(220,221)274-63-18-99(185-11-5-92(146)170-137(185)208)260-78(63)36-245-288(218,219)273-62-17-98(258-76(62)34-199)184-10-4-91(145)169-136(184)207/h4-15,31-33,49-57,61-90,97-111,199-200H,16-30,34-48H2,1-3H3,(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H2,145,169,207)(H2,146,170,208)(H2,147,171,209)(H2,148,172,210)(H2,149,173,211)(H2,150,174,212)(H2,151,157,160)(H2,152,158,161)(H2,153,159,162)(H,181,201,213)(H,182,202,214)(H,183,203,215)(H3,154,175,178,204)(H3,155,176,179,205)(H3,156,177,180,206)

InChIKey

MLTPBOFZJTVYJP-UHFFFAOYSA-N

Smiles

Cc1cn(c(=O)[nH]c1=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(OC1CO)n1ccc(nc1=O)N)n1ccc(nc1=O)N)n1ccc(nc1=O)N)n1cnc2c1ncnc2N)n1cnc2c1nc([nH]c2=O)N)n1cc(c(=O)[nH]c1=O)C)n1ccc(nc1=O)N)n1cnc2c1ncnc2N)n1ccc(nc1=O)N)n1cnc2c1nc([nH]c2=O)N)n1cnc2c1ncnc2N)n1ccc(nc1=O)N)n1cnc2c1nc([nH]c2=O)N)n1cc(c(=O)[nH]c1=O)C)O