CID 16197360
[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid
Structural Information
- Molecular Formula
- C206H291N70O89P15
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(N3CCOCC3)OC4CC(OC4COP(=O)(N5CCOCC5)OC6CC(OC6COP(=O)(N7CCOCC7)OC8CC(OC8COP(=O)(N9CCOCC9)OC1CC(OC1COP(=O)(N1CCOCC1)OC1CC(OC1COP(=O)(N1CCOCC1)OC1CC(OC1COP(=O)(N1CCOCC1)OC1CC(OC1COP(=O)(N1CCOCC1)OC1CC(OC1COP(=O)(N1CCOCC1)OC1CC(OC1COP(=O)(N1CCOCC1)OC1CC(OC1COP(=O)(N1CCOCC1)OC1CC(OC1COP(=O)(N1CCOCC1)OC1CC(OC1COP(=O)(N1CCOCC1)OC1CC(OC1COP(=O)(N1CCOCC1)OC1CC(OC1COP(=O)(N1CCOCC1)O)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C206H291N70O89P15/c1-120-88-266(203(287)243-193(120)278)158-73-124(277)139(337-158)92-323-367(293,248-15-45-308-46-16-248)359-132-81-166(270-113-230-173-180(211)218-107-224-186(173)270)345-147(132)100-331-376(302,257-33-63-317-64-34-257)362-135-84-169(273-116-233-176-183(214)221-110-227-189(176)273)348-150(135)103-333-378(304,259-37-67-319-68-38-259)363-136-85-170(274-117-234-177-184(215)222-111-228-190(177)274)349-151(136)104-334-379(305,260-39-69-320-70-40-260)364-137-86-171(275-118-235-178-185(216)223-112-229-191(178)275)350-152(137)105-335-380(306,261-41-71-321-72-42-261)365-138-87-172(276-119-236-179-192(276)241-198(217)242-197(179)282)351-153(138)106-336-374(300,255-29-59-315-60-30-255)358-131-80-165(269-91-123(4)196(281)246-206(269)290)342-144(131)97-327-370(296,251-21-51-311-52-22-251)354-127-76-161(264-11-7-156(209)239-201(264)285)341-143(127)96-326-372(298,253-25-55-313-56-26-253)356-129-78-163(267-89-121(2)194(279)244-204(267)288)343-145(129)98-328-373(299,254-27-57-314-58-28-254)357-130-79-164(268-90-122(3)195(280)245-205(268)289)344-146(130)99-329-375(301,256-31-61-316-62-32-256)360-133-82-167(271-114-231-174-181(212)219-108-225-187(174)271)347-149(133)102-332-377(303,258-35-65-318-66-36-258)361-134-83-168(272-115-232-175-182(213)220-109-226-188(175)272)346-148(134)101-330-371(297,252-23-53-312-54-24-252)355-128-77-162(265-12-8-157(210)240-202(265)286)340-142(128)95-325-369(295,250-19-49-310-50-20-250)353-126-75-160(263-10-6-155(208)238-200(263)284)339-141(126)94-324-368(294,249-17-47-309-48-18-249)352-125-74-159(262-9-5-154(207)237-199(262)283)338-140(125)93-322-366(291,292)247-13-43-307-44-14-247/h5-12,88-91,107-119,124-153,158-172,277H,13-87,92-106H2,1-4H3,(H,291,292)(H2,207,237,283)(H2,208,238,284)(H2,209,239,285)(H2,210,240,286)(H2,211,218,224)(H2,212,219,225)(H2,213,220,226)(H2,214,221,227)(H2,215,222,228)(H2,216,223,229)(H,243,278,287)(H,244,279,288)(H,245,280,289)(H,246,281,290)(H3,217,241,242,282)
- InChIKey
- ITPHMEQXUMCRSD-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 5634.6533 | 311.5 |
| [M+Na]+ | 5656.6352 | 311.5 |
| [M-H]- | 5632.6387 | 311.5 |
| [M+NH4]+ | 5651.6798 | 311.5 |
| [M+K]+ | 5672.6092 | 311.5 |
| [M+H-H2O]+ | 5616.6433 | 311.5 |
| [M+HCOO]- | 5678.6442 | 311.5 |
| [M+CH3COO]- | 5692.6599 | 311.5 |
| [M+Na-2H]- | 5654.6207 | 311.5 |
| [M]+ | 5633.6455 | 311.5 |
| [M]- | 5633.6465 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.