CID 16130139
(dc)15
Structural Information
- Molecular Formula
- C135H181N45O88P14
- SMILES
- C1C(C(OC1N2C=CC(=NC2=O)N)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(OC1CO)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C135H181N45O88P14/c136-91-1-16-166(121(183)151-91)106-31-61(182)77(241-106)47-226-269(198,199)256-63-33-108(168-18-3-93(138)153-123(168)185)243-79(63)49-228-271(202,203)258-65-35-110(170-20-5-95(140)155-125(170)187)245-81(65)51-230-273(206,207)260-67-37-112(172-22-7-97(142)157-127(172)189)247-83(67)53-232-275(210,211)262-69-39-114(174-24-9-99(144)159-129(174)191)249-85(69)55-234-277(214,215)264-71-41-116(176-26-11-101(146)161-131(176)193)251-87(71)57-236-279(218,219)266-73-43-118(178-28-13-103(148)163-133(178)195)253-89(73)59-238-281(222,223)268-75-45-120(180-30-15-105(150)165-135(180)197)254-90(75)60-239-282(224,225)267-74-44-119(179-29-14-104(149)164-134(179)196)252-88(74)58-237-280(220,221)265-72-42-117(177-27-12-102(147)162-132(177)194)250-86(72)56-235-278(216,217)263-70-40-115(175-25-10-100(145)160-130(175)192)248-84(70)54-233-276(212,213)261-68-38-113(173-23-8-98(143)158-128(173)190)246-82(68)52-231-274(208,209)259-66-36-111(171-21-6-96(141)156-126(171)188)244-80(66)50-229-272(204,205)257-64-34-109(169-19-4-94(139)154-124(169)186)242-78(64)48-227-270(200,201)255-62-32-107(240-76(62)46-181)167-17-2-92(137)152-122(167)184/h1-30,61-90,106-120,181-182H,31-60H2,(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H2,136,151,183)(H2,137,152,184)(H2,138,153,185)(H2,139,154,186)(H2,140,155,187)(H2,141,156,188)(H2,142,157,189)(H2,143,158,190)(H2,144,159,191)(H2,145,160,192)(H2,146,161,193)(H2,147,162,194)(H2,148,163,195)(H2,149,164,196)(H2,150,165,197)
- InChIKey
- QYSDEWMKQUQILK-UHFFFAOYSA-N
- Compound name
- [5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4274.7470 | 312.8 |
[M+Na]+ | 4296.7289 | 313.6 |
[M-H]- | 4272.7324 | 313.3 |
[M+NH4]+ | 4291.7735 | 313.1 |
[M+K]+ | 4312.7029 | 312.9 |
[M+H-H2O]+ | 4256.7370 | 312.2 |
[M+HCOO]- | 4318.7379 | 313.0 |
[M+CH3COO]- | 4332.7536 | 313.0 |
[M+Na-2H]- | 4294.7144 | 314.3 |
[M]+ | 4273.7392 | 313.0 |
[M]- | 4273.7402 | 313.0 |
Literature stripe
Patent stripe
No patent data available for this compound.