CID 65070

Dutp

Structural Information

Molecular Formula
C9H15N2O14P3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKey
AHCYMLUZIRLXAA-SHYZEUOFSA-N
Compound name
[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

362
References

53161
Patents

467.9736 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.98088 184.2
[M+Na]+ 490.96282 189.4
[M+NH4]+ 486.00742 184.3
[M+K]+ 506.93676 189.5
[M-H]- 466.96632 179.0
[M+Na-2H]- 488.94827 188.0
[M]+ 467.97305 183.5
[M]- 467.97415 183.5
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