CID 5276919

[(3r,5r)-5-(6-aminopurin-9-yl)tetrahydrofuran-3-yl]oxymethylphosphonic acid

Structural Information

Molecular Formula
C10H14N5O5P
SMILES
C1[C@H](CO[C@H]1N2C=NC3=C(N=CN=C32)N)OCP(=O)(O)O
InChI
InChI=1S/C10H14N5O5P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-6(2-19-7)20-5-21(16,17)18/h3-4,6-7H,1-2,5H2,(H2,11,12,13)(H2,16,17,18)/t6-,7-/m1/s1
InChIKey
APGJDGUNUMWBON-RNFRBKRXSA-N
Compound name
[(3R,5R)-5-(6-aminopurin-9-yl)oxolan-3-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

315.07324 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08052 166.2
[M+Na]+ 338.06246 173.5
[M-H]- 314.06596 166.3
[M+NH4]+ 333.10706 176.7
[M+K]+ 354.03640 172.7
[M+H-H2O]+ 298.07050 155.8
[M+HCOO]- 360.07144 187.0
[M+CH3COO]- 374.08709 200.3
[M+Na-2H]- 336.04791 167.4
[M]+ 315.07269 167.3
[M]- 315.07379 167.3
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