CID 513831

[(2s,5r,6s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-6-(hydroxymethyl)tetrahydropyran-2-yl]phosphonic acid

Structural Information

Molecular Formula
C10H16N3O6P
SMILES
C1C[C@@H](O[C@@H]([C@@H]1N2C=CC(=NC2=O)N)CO)P(=O)(O)O
InChI
InChI=1S/C10H16N3O6P/c11-8-3-4-13(10(15)12-8)6-1-2-9(20(16,17)18)19-7(6)5-14/h3-4,6-7,9,14H,1-2,5H2,(H2,11,12,15)(H2,16,17,18)/t6-,7-,9+/m1/s1
InChIKey
RARQORCIBUPPDO-BHNWBGBOSA-N
Compound name
[(2S,5R,6S)-5-(4-amino-2-oxopyrimidin-1-yl)-6-(hydroxymethyl)oxan-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.07767 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08495 168.6
[M+Na]+ 328.06689 174.4
[M-H]- 304.07039 167.8
[M+NH4]+ 323.11149 177.0
[M+K]+ 344.04083 172.9
[M+H-H2O]+ 288.07493 158.2
[M+HCOO]- 350.07587 186.9
[M+CH3COO]- 364.09152 198.4
[M+Na-2H]- 326.05234 169.0
[M]+ 305.07712 165.3
[M]- 305.07822 165.3
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

No patent data available for this compound.