CID 25245386

5-hydroxy-ctp

Structural Information

Molecular Formula
C9H16N3O15P3
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)O
InChI
InChI=1S/C9H16N3O15P3/c10-7-3(13)1-12(9(16)11-7)8-6(15)5(14)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-15H,2H2,(H,20,21)(H,22,23)(H2,10,11,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
InChIKey
DMFODUNDODUQKK-UAKXSSHOSA-N
Compound name
[[(2R,3S,4R,5R)-5-(4-amino-5-hydroxy-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

103
Patents

498.97943 Da
Monoisotopic Mass

-6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.98671 190.7
[M+Na]+ 521.96865 194.2
[M+NH4]+ 517.01325 191.2
[M+K]+ 537.94259 194.1
[M-H]- 497.97215 184.1
[M+Na-2H]- 519.95410 193.3
[M]+ 498.97888 188.7
[M]- 498.97998 188.7
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