CID 5311494

Utpgammas

Structural Information

Molecular Formula
C9H15N2O14P3S
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O
InChI
InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(23-8)3-22-26(16,17)24-27(18,19)25-28(20,21)29/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,18,19)(H,10,12,15)(H2,20,21,29)/t4-,6-,7-,8-/m1/s1
InChIKey
DUDALCZPYHIGIR-XVFCMESISA-N
Compound name
dihydroxyphosphinothioyl [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

283
Patents

499.94568 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.95296 193.5
[M+Na]+ 522.93490 197.8
[M+NH4]+ 517.97950 193.9
[M+K]+ 538.90884 197.1
[M-H]- 498.93840 186.7
[M+Na-2H]- 520.92035 198.0
[M]+ 499.94513 191.5
[M]- 499.94623 191.5
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