CID 90657269

Octulose 8-phosphate

Structural Information

Molecular Formula
C8H17O11P
SMILES
C([C@H]([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C8H17O11P/c9-1-3(10)5(12)7(14)8(15)6(13)4(11)2-19-20(16,17)18/h4-9,11-15H,1-2H2,(H2,16,17,18)/t4-,5-,6-,7+,8-/m1/s1
InChIKey
HBVGYHUWOQIXHJ-UIAUGNHASA-N
Compound name
[(2R,3R,4R,5R,6S)-2,3,4,5,6,8-hexahydroxy-7-oxooctyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2
Patents

320.05084 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05812 170.1
[M+Na]+ 343.04006 168.9
[M-H]- 319.04356 172.1
[M+NH4]+ 338.08466 167.2
[M+K]+ 359.01400 161.7
[M+H-H2O]+ 303.04810 158.7
[M+HCOO]- 365.04904 164.9
[M+CH3COO]- 379.06469 190.7
[M+Na-2H]- 341.02551 159.7
[M]+ 320.05029 162.6
[M]- 320.05139 162.6
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