CID 5270785

143028-98-2

Structural Information

Molecular Formula
C10H18N3O14P3
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C10H18N3O14P3/c1-23-8-7(14)5(25-9(8)13-3-2-6(11)12-10(13)15)4-24-29(19,20)27-30(21,22)26-28(16,17)18/h2-3,5,7-9,14H,4H2,1H3,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
InChIKey
YCZSHICNESTART-ZOQUXTDFSA-N
Compound name
[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

976
Patents

497.00015 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.00743 192.2
[M+Na]+ 519.98937 196.6
[M-H]- 495.99287 189.4
[M+NH4]+ 515.03397 192.4
[M+K]+ 535.96331 191.3
[M+H-H2O]+ 479.99741 178.9
[M+HCOO]- 541.99835 195.3
[M+CH3COO]- 556.01400 229.8
[M+Na-2H]- 517.97482 195.8
[M]+ 496.99960 181.7
[M]- 497.00070 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.