CID 10267

Beta-d-fructose 1,6-bisphosphate

Structural Information

Molecular Formula
C6H14O12P2
SMILES
C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1
InChIKey
RNBGYGVWRKECFJ-ARQDHWQXSA-N
Compound name
[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

960
References

8580
Patents

339.99606 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.00334 163.3
[M+Na]+ 362.98528 163.4
[M+NH4]+ 358.02988 163.1
[M+K]+ 378.95922 169.5
[M-H]- 338.98878 154.5
[M+Na-2H]- 360.97073 158.5
[M]+ 339.99551 159.7
[M]- 339.99661 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe