CID 25244811

Glucosamine 1,6-diphosphate

Structural Information

Molecular Formula
C6H15NO11P2
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)N)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H15NO11P2/c7-3-5(9)4(8)2(1-16-19(10,11)12)17-6(3)18-20(13,14)15/h2-6,8-9H,1,7H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4-,5-,6+/m1/s1
InChIKey
SHDYQZNYDQDWFM-UKFBFLRUSA-N
Compound name
[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.01202 Da
Monoisotopic Mass

-7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.01930 167.4
[M+Na]+ 362.00124 170.5
[M-H]- 338.00474 160.6
[M+NH4]+ 357.04584 175.3
[M+K]+ 377.97518 172.7
[M+H-H2O]+ 322.00928 157.5
[M+HCOO]- 384.01022 187.7
[M+CH3COO]- 398.02587 199.5
[M+Na-2H]- 359.98669 168.0
[M]+ 339.01147 166.5
[M]- 339.01257 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.