CID 10432343

5-fluorouridine diphosphate

Structural Information

Molecular Formula
C9H13FN2O12P2
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O)F
InChI
InChI=1S/C9H13FN2O12P2/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(23-8)2-22-26(20,21)24-25(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
InChIKey
FOZCNVFQOJRHFF-UAKXSSHOSA-N
Compound name
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

421.99277 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.00005 181.9
[M+Na]+ 444.98199 184.0
[M+NH4]+ 440.02659 178.4
[M+K]+ 460.95593 191.7
[M-H]- 420.98549 173.4
[M+Na-2H]- 442.96744 176.6
[M]+ 421.99222 178.4
[M]- 421.99332 178.4
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