CID 473097

Uridine 3'-spiroxirane 5'-triphosphate

Structural Information

Molecular Formula
C10H15N2O15P3
SMILES
C1C2(O1)[C@H](O[C@H]([C@@H]2O)N3C=CC(=O)NC3=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C10H15N2O15P3/c13-6-1-2-12(9(15)11-6)8-7(14)10(4-23-10)5(25-8)3-24-29(19,20)27-30(21,22)26-28(16,17)18/h1-2,5,7-8,14H,3-4H2,(H,19,20)(H,21,22)(H,11,13,15)(H2,16,17,18)/t5-,7+,8-,10?/m1/s1
InChIKey
GGKSYYZOQJRHBG-PELMPBBBSA-N
Compound name
[[(4R,5R,7R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-1,6-dioxaspiro[2.4]heptan-7-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

495.96854 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.97582 171.7
[M+Na]+ 518.95776 177.9
[M-H]- 494.96126 169.9
[M+NH4]+ 514.00236 172.6
[M+K]+ 534.93170 171.3
[M+H-H2O]+ 478.96580 159.0
[M+HCOO]- 540.96674 176.0
[M+CH3COO]- 554.98239 223.9
[M+Na-2H]- 516.94321 176.5
[M]+ 495.96799 160.0
[M]- 495.96909 160.0
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

No patent data available for this compound.