CID 513832

[(2s,3r)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2h-pyran-6-yl]phosphonic acid

Structural Information

Molecular Formula
C11H14N5O5P
SMILES
C1C=C(O[C@@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)CO)P(=O)(O)O
InChI
InChI=1S/C11H14N5O5P/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-2-8(22(18,19)20)21-7(6)3-17/h2,4-7,17H,1,3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-/m1/s1
InChIKey
NZNVUYLNGGBIAL-RNFRBKRXSA-N
Compound name
[(2S,3R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.07324 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08052 173.9
[M+Na]+ 350.06246 181.8
[M-H]- 326.06596 172.6
[M+NH4]+ 345.10706 181.6
[M+K]+ 366.03640 179.2
[M+H-H2O]+ 310.07050 162.9
[M+HCOO]- 372.07144 191.9
[M+CH3COO]- 386.08709 202.6
[M+Na-2H]- 348.04791 175.7
[M]+ 327.07269 173.2
[M]- 327.07379 173.2
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.