CID 16075430

Ddcp4ddc

Structural Information

Molecular Formula
C18H28N6O17P4
SMILES
C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2CC[C@@H](O2)N3C=CC(=NC3=O)N)N4C=CC(=NC4=O)N
InChI
InChI=1S/C18H28N6O17P4/c19-13-5-7-23(17(25)21-13)15-3-1-11(37-15)9-35-42(27,28)39-44(31,32)41-45(33,34)40-43(29,30)36-10-12-2-4-16(38-12)24-8-6-14(20)22-18(24)26/h5-8,11-12,15-16H,1-4,9-10H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H2,19,21,25)(H2,20,22,26)/t11-,12-,15+,16+/m0/s1
InChIKey
LDYVKBLCAGVSNJ-YXAMBPQSSA-N
Compound name
[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

724.04614 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 725.05342 228.7
[M+Na]+ 747.03536 233.4
[M-H]- 723.03886 226.9
[M+NH4]+ 742.07996 228.9
[M+K]+ 763.00930 229.4
[M+H-H2O]+ 707.04340 214.9
[M+HCOO]- 769.04434 231.0
[M+CH3COO]- 783.05999 235.0
[M+Na-2H]- 745.02081 225.7
[M]+ 724.04559 218.2
[M]- 724.04669 218.2
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.