CID 16133581
S-dc(21) oligonucleotide phosphorothioate
Structural Information
- Molecular Formula
- C207H277N69O114P22S22
- SMILES
- C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C207H277N69O114P22S22/c208-139-1-24-254(185(279)231-139)162-47-93(278)117(347-162)71-324-391(302,413)370-95-49-164(256-26-3-141(210)233-187(256)281)349-119(95)73-326-393(304,415)372-97-51-166(258-28-5-143(212)235-189(258)283)351-121(97)75-328-395(306,417)374-99-53-168(260-30-7-145(214)237-191(260)285)353-123(99)77-330-397(308,419)376-101-55-170(262-32-9-147(216)239-193(262)287)355-125(101)79-332-399(310,421)378-103-57-172(264-34-11-149(218)241-195(264)289)357-127(103)81-334-401(312,423)380-105-59-174(266-36-13-151(220)243-197(266)291)359-129(105)83-336-403(314,425)382-107-61-176(268-38-15-153(222)245-199(268)293)361-131(107)85-338-405(316,427)384-109-63-178(270-40-17-155(224)247-201(270)295)363-133(109)87-340-407(318,429)386-111-65-180(272-42-19-157(226)249-203(272)297)365-135(111)89-342-409(320,431)388-113-67-182(274-44-21-159(228)251-205(274)299)367-137(113)91-344-411(322,433)390-115-69-184(276-46-23-161(230)253-207(276)301)368-138(115)92-345-412(323,434)389-114-68-183(275-45-22-160(229)252-206(275)300)366-136(114)90-343-410(321,432)387-112-66-181(273-43-20-158(227)250-204(273)298)364-134(112)88-341-408(319,430)385-110-64-179(271-41-18-156(225)248-202(271)296)362-132(110)86-339-406(317,428)383-108-62-177(269-39-16-154(223)246-200(269)294)360-130(108)84-337-404(315,426)381-106-60-175(267-37-14-152(221)244-198(267)292)358-128(106)82-335-402(313,424)379-104-58-173(265-35-12-150(219)242-196(265)290)356-126(104)80-333-400(311,422)377-102-56-171(263-33-10-148(217)240-194(263)288)354-124(102)78-331-398(309,420)375-100-54-169(261-31-8-146(215)238-192(261)286)352-122(100)76-329-396(307,418)373-98-52-167(259-29-6-144(213)236-190(259)284)350-120(98)74-327-394(305,416)371-96-50-165(257-27-4-142(211)234-188(257)282)348-118(96)72-325-392(303,414)369-94-48-163(346-116(94)70-277)255-25-2-140(209)232-186(255)280/h1-46,93-138,162-184,277-278H,47-92H2,(H,302,413)(H,303,414)(H,304,415)(H,305,416)(H,306,417)(H,307,418)(H,308,419)(H,309,420)(H,310,421)(H,311,422)(H,312,423)(H,313,424)(H,314,425)(H,315,426)(H,316,427)(H,317,428)(H,318,429)(H,319,430)(H,320,431)(H,321,432)(H,322,433)(H,323,434)(H2,208,231,279)(H2,209,232,280)(H2,210,233,281)(H2,211,234,282)(H2,212,235,283)(H2,213,236,284)(H2,214,237,285)(H2,215,238,286)(H2,216,239,287)(H2,217,240,288)(H2,218,241,289)(H2,219,242,290)(H2,220,243,291)(H2,221,244,292)(H2,222,245,293)(H2,223,246,294)(H2,224,247,295)(H2,225,248,296)(H2,226,249,297)(H2,227,250,298)(H2,228,251,299)(H2,229,252,300)(H2,230,253,301)
- InChIKey
- DMZXAVRFCSFGGQ-UHFFFAOYSA-N
- Compound name
- 4-amino-1-[5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6938.6157 | 311.5 |
[M+Na]+ | 6960.5976 | 311.5 |
[M-H]- | 6936.6011 | 311.5 |
[M+NH4]+ | 6955.6422 | 311.5 |
[M+K]+ | 6976.5716 | 311.5 |
[M+H-H2O]+ | 6920.6057 | 311.5 |
[M+HCOO]- | 6982.6066 | 311.5 |
[M+CH3COO]- | 6996.6223 | 311.5 |
[M+Na-2H]- | 6958.5831 | 311.5 |
[M]+ | 6937.6079 | 311.5 |
[M]- | 6937.6089 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.