CID 71668264

3-dehydro-d-glucose-6-phosphate

Structural Information

Molecular Formula
C6H11O9P
SMILES
C([C@@H]1[C@H](C(=O)[C@H](C(O1)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-3,5-7,9-10H,1H2,(H2,11,12,13)/t2-,3-,5-,6?/m1/s1
InChIKey
XTCSSQUVVLDALS-KCLVSGOISA-N
Compound name
[(2R,3R,5S)-3,5,6-trihydroxy-4-oxooxan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

258.01407 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.02135 149.1
[M+Na]+ 281.00329 155.3
[M-H]- 257.00679 145.7
[M+NH4]+ 276.04789 161.7
[M+K]+ 296.97723 155.8
[M+H-H2O]+ 241.01133 142.2
[M+HCOO]- 303.01227 167.3
[M+CH3COO]- 317.02792 182.6
[M+Na-2H]- 278.98874 150.5
[M]+ 258.01352 149.0
[M]- 258.01462 149.0
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

No patent data available for this compound.