Oligo b 5'-capped thiol

Structural Information

Molecular Formula

C₁₇₇H₂₀₇N₄₂O₉₀P₁₁S₂

SMILES

CC1=CN(C(=O)N=C1N)C2C3C(C(O2)(CO3)COP(=O)(O)OC4C(OC(C4OC)N5C=NC6=C5N=C(NC6=O)N)COP(=O)(O)OC7C(OC(C7OC)N8C=NC9=C8N=C(NC9=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C2C(OC1(CO2)COSSCCCCCCC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)N1C=C(C(=NC1=O)N)C)N1C=C(C(=NC1=O)N)C)N1C=C(C(=NC1=O)N)C)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)OC)OP(=O)(O)OCC12COC(C1OP(=O)(O)OCC1C(C(C(O1)N1C=NC3=C(N=CN=C31)N)OC)OC(=O)C1=CC3=C(C=C1)C(=O)OC31C3=C(C=C(C=C3)O)OC3=C1C=CC(=C3)O)C(O2)N1C=C(C(=NC1=O)N)C

InChI

InChI=1S/C177H207N42O90P11S2/c1-77-49-211(166(231)199-134(77)179)154-124-129(305-312(240,241)274-54-96-110(117(260-8)150(285-96)216-73-192-106-139(184)188-71-190-141(106)216)292-159(226)82-24-35-90-93(46-82)177(298-160(90)227)91-36-29-86(220)47-94(91)284-95-48-87(221)30-37-92(95)177)171(293-154,61-267-124)66-280-318(252,253)302-112-98(287-148(119(112)262-10)209-43-39-104(222)197-164(209)229)58-276-314(244,245)307-131-126-156(213-51-79(3)136(181)201-168(213)233)296-174(131,64-270-126)69-282-320(256,257)304-116-101(291-153(123(116)266-14)219-76-195-109-144(219)205-162(187)207-146(109)225)56-273-311(238,239)300-115-100(290-152(122(115)265-13)218-75-194-108-143(218)204-161(186)206-145(108)224)55-272-310(236,237)299-114-102(289-151(121(114)264-12)217-74-193-107-140(185)189-72-191-142(107)217)60-278-315(246,247)308-132-127-157(214-52-80(4)137(182)202-169(214)234)295-173(132,63-269-127)67-279-317(250,251)301-111-97(286-147(118(111)261-9)208-42-38-103(178)196-163(208)228)57-275-313(242,243)306-130-125-155(212-50-78(2)135(180)200-167(212)232)294-172(130,62-268-125)68-281-319(254,255)303-113-99(288-149(120(113)263-11)210-44-40-105(223)198-165(210)230)59-277-316(248,249)309-133-128-158(215-53-81(5)138(183)203-170(215)235)297-175(133,65-271-128)70-283-322-321-45-21-16-15-20-41-176(83-22-18-17-19-23-83,84-25-31-88(258-6)32-26-84)85-27-33-89(259-7)34-28-85/h17-19,22-40,42-44,46-53,71-76,96-102,110-133,147-158,220-221H,15-16,20-21,41,45,54-70H2,1-14H3,(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H2,178,196,228)(H2,179,199,231)(H2,180,200,232)(H2,181,201,233)(H2,182,202,234)(H2,183,203,235)(H2,184,188,190)(H2,185,189,191)(H,197,222,229)(H,198,223,230)(H3,186,204,206,224)(H3,187,205,207,225)

InChIKey

ICALAUBKWFIBPN-UHFFFAOYSA-N

Compound name

[2-[[[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[2-[[[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[2-[[[2-[[[2-[[[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[2-[[[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[2-[[[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[7,7-bis(4-methoxyphenyl)-7-phenylheptyl]disulfanyl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl] 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylate

Related CIDs

• CID 16197781