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]+ 275.052656 156.6
[M+Na]+ 297.034598 161.5
[M-H]- 273.038104 151.5
[M+NH4]+ 292.079203 167.8
[M+K]+ 313.008538 161.7
[M+H-H2O]+ 257.042640 149.5
[M+HCOO]- 319.043581 172.6
[M+CH3COO]- 333.059231 184.4
[M+Na-2H]- 295.020046 156.9
[M]+ 274.04483142 155.6
[M]- 274.04592858 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.