CID 46926085

Glc-1-mep

Structural Information

Molecular Formula
C7H15O9P
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCP(=O)(O)O)O)O)O)O
InChI
InChI=1S/C7H15O9P/c8-1-3-4(9)5(10)6(11)7(16-3)15-2-17(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5+,6-,7+/m1/s1
InChIKey
WJEZSLBGCUKRIK-ZFYZTMLRSA-N
Compound name
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

274.04538 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05266 155.5
[M+Na]+ 297.03460 160.1
[M+NH4]+ 292.07920 157.2
[M+K]+ 313.00854 162.2
[M-H]- 273.03810 150.7
[M+Na-2H]- 295.02005 151.8
[M]+ 274.04483 153.9
[M]- 274.04593 153.9
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

No patent data available for this compound.