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

compound 2d structure
1
Annotation Hits

2
References

0
Patents

4273.7397 Da
Monoisotopic Mass

-34.5
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.