CID 163202362

[hydroxy-[hydroxy-[[5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxy-phosphoryl] (4-octadecanoylphenyl)methyl hydrogen phosphate

Structural Information

Molecular Formula
C35H55N2O14P3
SMILES
CCCCCCCCCCCCCCCCCC(=O)C1=CC=C(C=C1)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2C=CC(O2)N3C=C(C(=O)NC3=O)C
InChI
InChI=1S/C35H55N2O14P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32(38)30-21-19-29(20-22-30)26-47-52(41,42)50-54(45,46)51-53(43,44)48-27-31-23-24-33(49-31)37-25-28(2)34(39)36-35(37)40/h19-25,31,33H,3-18,26-27H2,1-2H3,(H,41,42)(H,43,44)(H,45,46)(H,36,39,40)
InChIKey
QFZLPOWALVFMEK-UHFFFAOYSA-N
Compound name
[hydroxy-[hydroxy-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxyphosphoryl] (4-octadecanoylphenyl)methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

820.2866 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 821.29388 256.8
[M+Na]+ 843.27582 263.1
[M-H]- 819.27932 259.1
[M+NH4]+ 838.32042 266.2
[M+K]+ 859.24976 251.9
[M+H-H2O]+ 803.28386 236.0
[M+HCOO]- 865.28480 282.8
[M+CH3COO]- 879.30045 289.2
[M+Na-2H]- 841.26127 265.9
[M]+ 820.28605 259.6
[M]- 820.28715 259.6
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.