CID 53882537

5-fluorodeoxyuridine diphosphate

Structural Information

Molecular Formula
C9H13FN2O11P2
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C9H13FN2O11P2/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(22-7)3-21-25(19,20)23-24(16,17)18/h2,5-7,13H,1,3H2,(H,19,20)(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
InChIKey
HKUJAJKSNVIDLX-RRKCRQDMSA-N
Compound name
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

30
Patents

405.99786 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.00514 178.9
[M+Na]+ 428.98708 181.8
[M+NH4]+ 424.03168 176.4
[M+K]+ 444.96102 188.4
[M-H]- 404.99058 171.3
[M+Na-2H]- 426.97253 174.8
[M]+ 405.99731 175.8
[M]- 405.99841 175.8
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

patents stripe