CID 16197365
Aattctgaaaatggataaa
Structural Information
- Molecular Formula
- C207H270N78O89P18
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(C)OC3CC(OC3COP(=O)(C)OC4CC(OC4COP(=O)(C)OC5CC(OC5COP(=O)(C)OC6CC(OC6COP(=O)(C)OC7CC(OC7CO)N8C=NC9=C(N=CN=C98)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)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C207H270N78O89P18/c1-92-45-268(203(297)262-191(92)288)138-29-100(120(342-138)54-324-379(10,306)360-101-30-139(269-46-93(2)192(289)263-204(269)298)343-121(101)55-325-383(14,310)365-106-35-145(276-82-245-158-171(212)225-72-235-181(158)276)346-124(106)58-321-376(7,303)357-98-27-143(338-116(98)50-286)274-80-243-156-169(210)223-70-233-179(156)274)359-378(9,305)322-52-118-99(28-137(340-118)267-25-24-135(208)255-202(267)296)358-377(8,304)323-53-119-102(31-140(341-119)270-47-94(3)193(290)264-205(270)299)362-381(12,308)335-66-132-113(42-152(354-132)283-89-252-165-188(283)256-199(219)259-196(165)293)372-390(21,317)334-65-131-112(41-151(353-131)282-88-251-164-177(218)231-78-241-187(164)282)371-389(20,316)332-63-129-111(40-150(351-129)281-87-250-163-176(217)230-77-240-186(163)281)370-388(19,315)331-62-128-110(39-149(350-128)280-86-249-162-175(216)229-76-239-185(162)280)369-387(18,314)330-61-127-107(36-146(349-127)277-83-246-159-172(213)226-73-236-182(159)277)366-384(15,311)327-57-123-104(33-142(345-123)272-49-96(5)195(292)266-207(272)301)363-382(13,309)336-67-133-114(43-153(355-133)284-90-253-166-189(284)257-200(220)260-197(166)294)374-392(23,319)337-68-134-115(44-154(356-134)285-91-254-167-190(285)258-201(221)261-198(167)295)373-391(22,318)333-64-130-108(37-147(352-130)278-84-247-160-173(214)227-74-237-183(160)278)367-385(16,312)326-56-122-103(32-141(344-122)271-48-95(4)194(291)265-206(271)300)361-380(11,307)328-60-126-109(38-148(348-126)279-85-248-161-174(215)228-75-238-184(161)279)368-386(17,313)329-59-125-105(34-144(347-125)275-81-244-157-170(211)224-71-234-180(157)275)364-375(6,302)320-51-117-97(287)26-136(339-117)273-79-242-155-168(209)222-69-232-178(155)273/h24-25,45-49,69-91,97-134,136-154,286-287H,26-44,50-68H2,1-23H3,(H2,208,255,296)(H2,209,222,232)(H2,210,223,233)(H2,211,224,234)(H2,212,225,235)(H2,213,226,236)(H2,214,227,237)(H2,215,228,238)(H2,216,229,239)(H2,217,230,240)(H2,218,231,241)(H,262,288,297)(H,263,289,298)(H,264,290,299)(H,265,291,300)(H,266,292,301)(H3,219,256,259,293)(H3,220,257,260,294)(H3,221,258,261,295)
- InChIKey
- FPKGEYHRUMTYMN-UHFFFAOYSA-N
- Compound name
- 1-[4-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[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-[[5-(6-aminopurin-9-yl)-3-[[3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5830.4350 | 311.5 |
[M+Na]+ | 5852.4169 | 311.5 |
[M-H]- | 5828.4204 | 311.5 |
[M+NH4]+ | 5847.4615 | 311.5 |
[M+K]+ | 5868.3909 | 311.5 |
[M+H-H2O]+ | 5812.4250 | 311.5 |
[M+HCOO]- | 5874.4259 | 311.5 |
[M+CH3COO]- | 5888.4416 | 311.5 |
[M+Na-2H]- | 5850.4024 | 311.5 |
[M]+ | 5829.4272 | 311.5 |
[M]- | 5829.4282 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.