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

1
Patents

258.01407 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.021346 149.1
[M+Na]+ 281.003288 155.3
[M-H]- 257.006794 145.7
[M+NH4]+ 276.047893 161.7
[M+K]+ 296.977228 155.8
[M+H-H2O]+ 241.011330 142.2
[M+HCOO]- 303.012271 167.3
[M+CH3COO]- 317.027921 182.6
[M+Na-2H]- 278.988736 150.5
[M]+ 258.01352142 149.0
[M]- 258.01461858 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

patents stripe