CID 6133

Uridine 5'-triphosphate

Structural Information

Molecular Formula
C9H15N2O15P3
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
InChI
InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey
PGAVKCOVUIYSFO-XVFCMESISA-N
Compound name
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2501
References

13889
Patents

483.96854 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.97582 184.7
[M+Na]+ 506.95776 188.7
[M-H]- 482.96126 181.9
[M+NH4]+ 502.00236 184.6
[M+K]+ 522.93170 183.2
[M+H-H2O]+ 466.96580 171.6
[M+HCOO]- 528.96674 187.7
[M+CH3COO]- 542.98239 220.2
[M+Na-2H]- 504.94321 186.3
[M]+ 483.96799 171.4
[M]- 483.96909 171.4
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