CID 16131577
5'-dagggggggtcctggaggctg-3'
Structural Information
- Molecular Formula
- C197H244N85O119P19
- SMILES
- CC1=CN(C(=O)NC1=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(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C197H244N85O119P19/c1-69-30-266(195(303)260-165(69)285)119-15-77(387-402(306,307)344-34-93-72(284)10-115(364-93)271-57-221-137-153(271)236-180(203)248-168(137)288)97(368-119)38-349-405(312,313)386-76-14-118(265-9-6-114(200)235-194(265)302)367-96(76)37-348-409(320,321)391-82-20-125(273-59-223-139-155(273)238-182(205)250-170(139)290)375-104(82)45-356-415(332,333)396-86-24-129(277-63-227-143-159(277)242-186(209)254-174(143)294)374-103(86)44-354-411(324,325)390-80-18-123(270-56-220-136-150(202)216-54-218-152(136)270)371-100(80)41-352-412(326,327)394-85-23-128(276-62-226-142-158(276)241-185(208)253-173(142)293)377-106(85)47-358-414(330,331)395-84-22-127(275-61-225-141-157(275)240-184(207)252-172(141)292)373-102(84)43-353-408(318,319)389-79-17-121(268-32-71(3)167(287)262-197(268)305)369-98(79)39-350-406(314,315)385-75-13-117(264-8-5-113(199)234-193(264)301)365-94(75)35-346-404(310,311)384-74-12-116(263-7-4-112(198)233-192(263)300)366-95(74)36-347-407(316,317)388-78-16-120(267-31-70(2)166(286)261-196(267)304)370-99(78)40-351-410(322,323)392-83-21-126(274-60-224-140-156(274)239-183(206)251-171(140)291)376-105(83)46-357-416(334,335)397-88-26-131(279-65-229-145-161(279)244-188(211)256-176(145)296)379-108(88)49-360-418(338,339)399-90-28-133(281-67-231-147-163(281)246-190(213)258-178(147)298)381-110(90)51-362-420(342,343)401-91-29-134(282-68-232-148-164(282)247-191(214)259-179(148)299)382-111(91)52-361-419(340,341)400-89-27-132(280-66-230-146-162(280)245-189(212)257-177(146)297)380-109(89)50-359-417(336,337)398-87-25-130(278-64-228-144-160(278)243-187(210)255-175(144)295)378-107(87)48-355-413(328,329)393-81-19-124(272-58-222-138-154(272)237-181(204)249-169(138)289)372-101(81)42-345-403(308,309)383-73-11-122(363-92(73)33-283)269-55-219-135-149(201)215-53-217-151(135)269/h4-9,30-32,53-68,72-111,115-134,283-284H,10-29,33-52H2,1-3H3,(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H2,198,233,300)(H2,199,234,301)(H2,200,235,302)(H2,201,215,217)(H2,202,216,218)(H,260,285,303)(H,261,286,304)(H,262,287,305)(H3,203,236,248,288)(H3,204,237,249,289)(H3,205,238,250,290)(H3,206,239,251,291)(H3,207,240,252,292)(H3,208,241,253,293)(H3,209,242,254,294)(H3,210,243,255,295)(H3,211,244,256,296)(H3,212,245,257,297)(H3,213,246,258,298)(H3,214,247,259,299)
- InChIKey
- RAONDKYMKDMZLD-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6293.0743 | 311.5 |
[M+Na]+ | 6315.0562 | 311.5 |
[M-H]- | 6291.0597 | 311.5 |
[M+NH4]+ | 6310.1008 | 311.5 |
[M+K]+ | 6331.0302 | 311.5 |
[M+H-H2O]+ | 6275.0643 | 311.5 |
[M+HCOO]- | 6337.0652 | 311.5 |
[M+CH3COO]- | 6351.0809 | 311.5 |
[M+Na-2H]- | 6313.0417 | 311.5 |
[M]+ | 6292.0665 | 311.5 |
[M]- | 6292.0675 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.