CID 84951

1,6-di-o-phosphono-d-fructose

Structural Information

Molecular Formula
C6H14O12P2
SMILES
C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1
InChIKey
XPYBSIWDXQFNMH-UYFOZJQFSA-N
Compound name
[(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

915
References

6075
Patents

339.99606 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.00334 164.3
[M+Na]+ 362.98528 167.2
[M+NH4]+ 358.02988 170.9
[M+K]+ 378.95922 163.2
[M-H]- 338.98878 167.6
[M+Na-2H]- 360.97073 174.4
[M]+ 339.99551 165.1
[M]- 339.99661 165.1
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