CID 6031

Uridine 5'-diphosphate

Structural Information

Molecular Formula
C9H14N2O12P2
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O
InChI
InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey
XCCTYIAWTASOJW-XVFCMESISA-N
Compound name
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1517
References

14616
Patents

404.0022 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.00948 177.8
[M+Na]+ 426.99142 180.6
[M+NH4]+ 422.03602 175.1
[M+K]+ 442.96536 188.2
[M-H]- 402.99492 170.7
[M+Na-2H]- 424.97687 173.5
[M]+ 404.00165 174.8
[M]- 404.00275 174.8
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