CID 16130808
G-g-g-g-t-g-g-g-t-g-g-g-t-g-g-g-t-t
Structural Information
- Molecular Formula
- C190H236N77O121P19
- 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(OC1COP(=O)(O)O)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=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=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=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=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C190H236N77O121P19/c1-64-26-249(185(288)243-153(64)269)108-7-70(268)89(352-108)32-334-390(297,298)371-71-8-109(250-27-65(2)154(270)244-186(250)289)353-91(71)34-335-391(299,300)372-72-9-110(251-28-66(3)155(271)245-187(251)290)354-92(72)35-336-396(309,310)377-77-14-115(256-52-205-128-141(256)218-173(192)231-160(128)276)363-100(77)43-344-404(325,326)385-85-22-123(264-60-213-136-149(264)226-181(200)239-168(136)284)367-104(85)47-348-400(317,318)381-81-18-119(260-56-209-132-145(260)222-177(196)235-164(132)280)359-96(81)39-340-392(301,302)373-73-10-111(252-29-67(4)156(272)246-188(252)291)355-93(73)36-337-397(311,312)378-78-15-116(257-53-206-129-142(257)219-174(193)232-161(129)277)364-101(78)44-345-405(327,328)386-86-23-124(265-61-214-137-150(265)227-182(201)240-169(137)285)368-105(86)48-349-401(319,320)382-82-19-120(261-57-210-133-146(261)223-178(197)236-165(133)281)360-97(82)40-341-393(303,304)374-74-11-112(253-30-68(5)157(273)247-189(253)292)356-94(74)37-338-398(313,314)379-79-16-117(258-54-207-130-143(258)220-175(194)233-162(130)278)365-102(79)45-346-406(329,330)387-87-24-125(266-62-215-138-151(266)228-183(202)241-170(138)286)369-106(87)49-350-402(321,322)383-83-20-121(262-58-211-134-147(262)224-179(198)237-166(134)282)361-98(83)41-342-394(305,306)375-75-12-113(254-31-69(6)158(274)248-190(254)293)357-95(75)38-339-399(315,316)380-80-17-118(259-55-208-131-144(259)221-176(195)234-163(131)279)366-103(80)46-347-407(331,332)388-88-25-126(267-63-216-139-152(267)229-184(203)242-171(139)287)370-107(88)50-351-403(323,324)384-84-21-122(263-59-212-135-148(263)225-180(199)238-167(135)283)362-99(84)42-343-395(307,308)376-76-13-114(358-90(76)33-333-389(294,295)296)255-51-204-127-140(255)217-172(191)230-159(127)275/h26-31,51-63,70-126,268H,7-25,32-50H2,1-6H3,(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,243,269,288)(H,244,270,289)(H,245,271,290)(H,246,272,291)(H,247,273,292)(H,248,274,293)(H2,294,295,296)(H3,191,217,230,275)(H3,192,218,231,276)(H3,193,219,232,277)(H3,194,220,233,278)(H3,195,221,234,279)(H3,196,222,235,280)(H3,197,223,236,281)(H3,198,224,237,282)(H3,199,225,238,283)(H3,200,226,239,284)(H3,201,227,240,285)(H3,202,228,241,286)(H3,203,229,242,287)
- InChIKey
- KOTVRCCGBALVEL-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-[hydroxy-[[3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6120.9770 | 311.5 |
[M+Na]+ | 6142.9589 | 311.5 |
[M-H]- | 6118.9624 | 311.5 |
[M+NH4]+ | 6138.0035 | 311.5 |
[M+K]+ | 6158.9329 | 311.5 |
[M+H-H2O]+ | 6102.9670 | 311.5 |
[M+HCOO]- | 6164.9679 | 311.5 |
[M+CH3COO]- | 6178.9836 | 311.5 |
[M+Na-2H]- | 6140.9444 | 311.5 |
[M]+ | 6119.9692 | 311.5 |
[M]- | 6119.9702 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.