CID 16130131
(da)20-[2'3'-epoxy-amp]
Structural Information
- Molecular Formula
- C210H271N45O143P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=O)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)C)OP(=O)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=O)(O)OCC9C(CC(O9)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C2C(O2)C(O1)N1C=NC2=C(N=CN=C21)N
- InChI
- InChI=1S/C210H271N45O143P20/c1-84-41-235(191(277)215-170(84)257)145-21-104(124(61-256)357-145)379-399(297,298)337-62-125-105(22-146(358-125)236-42-85(2)171(258)216-192(236)278)380-400(299,300)338-63-126-106(23-147(359-126)237-43-86(3)172(259)217-193(237)279)381-401(301,302)339-64-127-107(24-148(360-127)238-44-87(4)173(260)218-194(238)280)382-402(303,304)340-65-128-108(25-149(361-128)239-45-88(5)174(261)219-195(239)281)383-403(305,306)341-66-129-109(26-150(362-129)240-46-89(6)175(262)220-196(240)282)384-404(307,308)342-67-130-110(27-151(363-130)241-47-90(7)176(263)221-197(241)283)385-405(309,310)343-68-131-111(28-152(364-131)242-48-91(8)177(264)222-198(242)284)386-406(311,312)344-69-132-112(29-153(365-132)243-49-92(9)178(265)223-199(243)285)387-407(313,314)345-70-133-113(30-154(366-133)244-50-93(10)179(266)224-200(244)286)388-408(315,316)346-71-134-114(31-155(367-134)245-51-94(11)180(267)225-201(245)287)389-409(317,318)347-72-135-115(32-156(368-135)246-52-95(12)181(268)226-202(246)288)390-410(319,320)348-73-136-116(33-157(369-136)247-53-96(13)182(269)227-203(247)289)391-411(321,322)349-74-137-117(34-158(370-137)248-54-97(14)183(270)228-204(248)290)392-412(323,324)350-75-138-118(35-159(371-138)249-55-98(15)184(271)229-205(249)291)393-413(325,326)351-76-139-119(36-160(372-139)250-56-99(16)185(272)230-206(250)292)394-414(327,328)352-77-140-120(37-161(373-140)251-57-100(17)186(273)231-207(251)293)395-415(329,330)353-78-141-121(38-162(374-141)252-58-101(18)187(274)232-208(252)294)396-416(331,332)354-79-142-122(39-163(375-142)253-59-102(19)188(275)233-209(253)295)397-417(333,334)355-80-143-123(40-164(376-143)254-60-103(20)189(276)234-210(254)296)398-418(335,336)356-81-144-166-167(378-166)190(377-144)255-83-214-165-168(211)212-82-213-169(165)255/h41-60,82-83,104-164,166-167,190,256H,21-40,61-81H2,1-20H3,(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,333,334)(H,335,336)(H2,211,212,213)(H,215,257,277)(H,216,258,278)(H,217,259,279)(H,218,260,280)(H,219,261,281)(H,220,262,282)(H,221,263,283)(H,222,264,284)(H,223,265,285)(H,224,266,286)(H,225,267,287)(H,226,268,288)(H,227,269,289)(H,228,270,290)(H,229,271,291)(H,230,272,292)(H,231,273,293)(H,232,274,294)(H,233,275,295)(H,234,276,296)
- InChIKey
- AUFXJJMHZPRTMF-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[4-(6-aminopurin-9-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6331.0143 | 311.6 |
[M+Na]+ | 6352.9962 | 311.6 |
[M-H]- | 6328.9997 | 311.6 |
[M+NH4]+ | 6348.0408 | 311.6 |
[M+K]+ | 6368.9702 | 311.6 |
[M+H-H2O]+ | 6313.0043 | 311.6 |
[M+HCOO]- | 6375.0052 | 311.6 |
[M+CH3COO]- | 6389.0209 | 311.6 |
[M+Na-2H]- | 6350.9817 | 311.6 |
[M]+ | 6330.0065 | 311.6 |
[M]- | 6330.0075 | 311.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.