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 156.6
[M+Na]+ 297.03460 161.5
[M-H]- 273.03810 151.5
[M+NH4]+ 292.07920 167.8
[M+K]+ 313.00854 161.7
[M+H-H2O]+ 257.04264 149.5
[M+HCOO]- 319.04358 172.6
[M+CH3COO]- 333.05923 184.4
[M+Na-2H]- 295.02005 156.9
[M]+ 274.04483 155.6
[M]- 274.04593 155.6
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

No patent data available for this compound.