CID 448057

2-amino-2-deoxy-4-o-phosphono-beta-d-glucopyranose

Structural Information

Molecular Formula
C6H14NO8P
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O
InChI
InChI=1S/C6H14NO8P/c7-3-4(9)5(15-16(11,12)13)2(1-8)14-6(3)10/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
InChIKey
QWDBGVNDGYUIAC-QZABAPFNSA-N
Compound name
[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

259.04572 Da
Monoisotopic Mass

-6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05300 153.5
[M+Na]+ 282.03494 158.6
[M-H]- 258.03844 149.4
[M+NH4]+ 277.07954 165.5
[M+K]+ 298.00888 158.8
[M+H-H2O]+ 242.04298 146.1
[M+HCOO]- 304.04392 171.5
[M+CH3COO]- 318.05957 186.2
[M+Na-2H]- 280.02039 153.6
[M]+ 259.04517 150.7
[M]- 259.04627 150.7
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