CID 441202

6-phospho-5-dehydro-2-deoxy-d-gluconic acid

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

25
Patents

258.01407 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.021346 150.8
[M+Na]+ 281.003288 154.6
[M-H]- 257.006794 142.8
[M+NH4]+ 276.047893 154.7
[M+K]+ 296.977228 155.6
[M+H-H2O]+ 241.011330 144.0
[M+HCOO]- 303.012271 160.9
[M+CH3COO]- 317.027921 182.5
[M+Na-2H]- 278.988736 148.9
[M]+ 258.01352142 151.7
[M]- 258.01461858 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