CID 16130126
(dt)20-[3'-dump]
Structural Information
- Molecular Formula
- C209H272N42O144P20
- 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)OCC1CCC(O1)N1C=CC(=O)NC1=O
- InChI
- InChI=1S/C209H272N42O144P20/c1-86-45-232(190(275)211-169(86)254)149-25-107(127(65-252)356-149)376-397(297,298)336-67-129-109(27-151(358-129)234-47-88(3)171(256)213-192(234)277)378-399(301,302)338-69-131-111(29-153(360-131)236-49-90(5)173(258)215-194(236)279)380-401(305,306)340-71-133-113(31-155(362-133)238-51-92(7)175(260)217-196(238)281)382-403(309,310)342-73-135-115(33-157(364-135)240-53-94(9)177(262)219-198(240)283)384-405(313,314)344-75-137-117(35-159(366-137)242-55-96(11)179(264)221-200(242)285)386-407(317,318)346-77-139-119(37-161(368-139)244-57-98(13)181(266)223-202(244)287)388-409(321,322)348-79-141-121(39-163(370-141)246-59-100(15)183(268)225-204(246)289)390-411(325,326)350-81-143-123(41-165(372-143)248-61-102(17)185(270)227-206(248)291)392-413(329,330)352-83-145-125(43-167(374-145)250-63-104(19)187(272)229-208(250)293)394-415(333,334)354-85-146-126(44-168(375-146)251-64-105(20)188(273)230-209(251)294)395-414(331,332)353-84-144-124(42-166(373-144)249-62-103(18)186(271)228-207(249)292)393-412(327,328)351-82-142-122(40-164(371-142)247-60-101(16)184(269)226-205(247)290)391-410(323,324)349-80-140-120(38-162(369-140)245-58-99(14)182(267)224-203(245)288)389-408(319,320)347-78-138-118(36-160(367-138)243-56-97(12)180(265)222-201(243)286)387-406(315,316)345-76-136-116(34-158(365-136)241-54-95(10)178(263)220-199(241)284)385-404(311,312)343-74-134-114(32-156(363-134)239-52-93(8)176(261)218-197(239)282)383-402(307,308)341-72-132-112(30-154(361-132)237-50-91(6)174(259)216-195(237)280)381-400(303,304)339-70-130-110(28-152(359-130)235-48-89(4)172(257)214-193(235)278)379-398(299,300)337-68-128-108(26-150(357-128)233-46-87(2)170(255)212-191(233)276)377-396(295,296)335-66-106-21-22-148(355-106)231-24-23-147(253)210-189(231)274/h23-24,45-64,106-146,148-168,252H,21-22,25-44,65-85H2,1-20H3,(H,295,296)(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,210,253,274)(H,211,254,275)(H,212,255,276)(H,213,256,277)(H,214,257,278)(H,215,258,279)(H,216,259,280)(H,217,260,281)(H,218,261,282)(H,219,262,283)(H,220,263,284)(H,221,264,285)(H,222,265,286)(H,223,266,287)(H,224,267,288)(H,225,268,289)(H,226,269,290)(H,227,270,291)(H,228,271,292)(H,229,272,293)(H,230,273,294)
- InChIKey
- BRXPLERJGXILPR-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(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]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]+ | 6294.0078 | 311.6 |
[M+Na]+ | 6315.9897 | 311.7 |
[M-H]- | 6291.9932 | 311.7 |
[M+NH4]+ | 6311.0343 | 311.6 |
[M+K]+ | 6331.9637 | 311.6 |
[M+H-H2O]+ | 6275.9978 | 311.6 |
[M+HCOO]- | 6337.9987 | 311.6 |
[M+CH3COO]- | 6352.0144 | 311.6 |
[M+Na-2H]- | 6313.9752 | 311.6 |
[M]+ | 6293.0000 | 311.7 |
[M]- | 6293.0010 | 311.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.