CID 445555

2,5-anhydroglucitol-1,6-biphosphate

Structural Information

Molecular Formula
C6H14O11P2
SMILES
C([C@@H]1[C@H]([C@@H]([C@@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1
InChIKey
WSMBXSQDFPTODV-JGWLITMVSA-N
Compound name
[(2S,3S,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

324.00113 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.00841 163.3
[M+Na]+ 346.99035 167.1
[M-H]- 322.99385 157.0
[M+NH4]+ 342.03495 174.0
[M+K]+ 362.96429 169.0
[M+H-H2O]+ 306.99839 154.7
[M+HCOO]- 368.99933 185.4
[M+CH3COO]- 383.01498 191.5
[M+Na-2H]- 344.97580 164.8
[M]+ 324.00058 165.6
[M]- 324.00168 165.6
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