CID 441202

6-phosphonato-5-dehydro-2-deoxy-d-gluconate(3-)

Structural Information

Molecular Formula
C6H11O9P
SMILES
C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)C(=O)O
InChI
InChI=1S/C6H11O9P/c7-3(1-5(9)10)6(11)4(8)2-15-16(12,13)14/h3,6-7,11H,1-2H2,(H,9,10)(H2,12,13,14)/t3-,6+/m1/s1
InChIKey
OLUPOJQIFXQXIT-CVYQJGLWSA-N
Compound name
(3R,4S)-3,4-dihydroxy-5-oxo-6-phosphonooxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

258.01407 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.02135 150.8
[M+Na]+ 281.00329 154.6
[M-H]- 257.00679 142.8
[M+NH4]+ 276.04789 154.7
[M+K]+ 296.97723 155.6
[M+H-H2O]+ 241.01133 144.0
[M+HCOO]- 303.01227 160.9
[M+CH3COO]- 317.02792 182.5
[M+Na-2H]- 278.98874 148.9
[M]+ 258.01352 151.7
[M]- 258.01462 151.7
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

patents stripe