CID 16197362
[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-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-(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-(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-ylphosphinic acid
Structural Information
- Molecular Formula
- C205H288N77O86P15
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(N3CCOCC3)OC4CC(OC4COP(=O)(N5CCOCC5)O)N6C=CC(=NC6=O)N)OP(=O)(N7CCOCC7)OCC8C(CC(O8)N9C=NC1=C(N=CN=C19)N)OP(=O)(N1CCOCC1)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(N1CCOCC1)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(N1CCOCC1)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(N1CCOCC1)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(N1CCOCC1)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(N1CCOCC1)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(N1CCOCC1)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(N1CCOCC1)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(N1CCOCC1)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(N1CCOCC1)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(N1CCOCC1)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(N1CCOCC1)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C205H288N77O86P15/c1-118-87-273(205(293)252-193(118)284)159-77-124(139(345-159)93-330-371(297,255-16-46-312-47-17-255)355-120-73-155(269-8-3-150(207)242-201(269)289)341-135(120)89-325-369(294,295)253-12-42-310-43-13-253)359-374(300,258-22-52-315-53-23-258)332-95-141-128(81-163(347-141)277-112-235-172-181(214)223-106-229-187(172)277)362-377(303,261-28-58-318-59-29-261)333-96-142-125(78-160(348-142)274-109-232-169-178(211)220-103-226-184(169)274)361-376(302,260-26-56-317-57-27-260)329-92-138-122(75-157(344-138)271-10-5-152(209)244-203(271)291)357-372(298,256-18-48-313-49-19-256)327-91-137-123(76-158(343-137)272-11-6-153(210)245-204(272)292)358-373(299,257-20-50-314-51-21-257)331-94-140-127(80-162(346-140)276-111-234-171-180(213)222-105-228-186(171)276)363-378(304,262-30-60-319-61-31-262)337-100-146-132(85-167(352-146)281-116-239-176-191(281)247-198(218)250-195(176)286)367-382(308,266-38-68-323-69-39-266)335-98-144-130(83-165(350-144)279-114-237-174-183(216)225-108-231-189(174)279)365-380(306,264-34-64-321-65-35-264)339-102-148-133(86-168(354-148)282-117-240-177-192(282)248-199(219)251-196(177)287)368-383(309,267-40-70-324-71-41-267)336-99-145-129(82-164(351-145)278-113-236-173-182(215)224-107-230-188(173)278)364-379(305,263-32-62-320-63-33-263)338-101-147-131(84-166(353-147)280-115-238-175-190(280)246-197(217)249-194(175)285)366-381(307,265-36-66-322-67-37-265)334-97-143-126(79-161(349-143)275-110-233-170-179(212)221-104-227-185(170)275)360-375(301,259-24-54-316-55-25-259)328-90-136-121(74-156(342-136)270-9-4-151(208)243-202(270)290)356-370(296,254-14-44-311-45-15-254)326-88-134-119(283)72-154(340-134)268-7-2-149(206)241-200(268)288/h2-11,87,103-117,119-148,154-168,283H,12-86,88-102H2,1H3,(H,294,295)(H2,206,241,288)(H2,207,242,289)(H2,208,243,290)(H2,209,244,291)(H2,210,245,292)(H2,211,220,226)(H2,212,221,227)(H2,213,222,228)(H2,214,223,229)(H2,215,224,230)(H2,216,225,231)(H,252,284,293)(H3,217,246,249,285)(H3,218,247,250,286)(H3,219,248,251,287)
- InChIKey
- PVYYYVYBRUBAJU-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyoxolan-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-(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-(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-ylphosphinic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 5669.6663 | 311.5 |
| [M+Na]+ | 5691.6482 | 311.5 |
| [M-H]- | 5667.6517 | 311.5 |
| [M+NH4]+ | 5686.6928 | 311.5 |
| [M+K]+ | 5707.6222 | 311.5 |
| [M+H-H2O]+ | 5651.6563 | 311.5 |
| [M+HCOO]- | 5713.6572 | 311.5 |
| [M+CH3COO]- | 5727.6729 | 311.5 |
| [M+Na-2H]- | 5689.6337 | 311.5 |
| [M]+ | 5668.6585 | 311.5 |
| [M]- | 5668.6595 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.