CID 504713

D-glucitol, 2-amino-2-deoxy-6-o-(diethoxyphosphinyl)-

Structural Information

Molecular Formula
C10H24NO8P
SMILES
CCOP(=O)(OCC)OC[C@H]([C@H]([C@@H]([C@H](CO)N)O)O)O
InChI
InChI=1S/C10H24NO8P/c1-3-17-20(16,18-4-2)19-6-8(13)10(15)9(14)7(11)5-12/h7-10,12-15H,3-6,11H2,1-2H3/t7-,8+,9+,10+/m0/s1
InChIKey
KDHXVLVNKUAFDN-SGIHWFKDSA-N
Compound name
[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexyl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.12396 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13124 173.7
[M+Na]+ 340.11318 174.8
[M-H]- 316.11668 165.8
[M+NH4]+ 335.15778 173.6
[M+K]+ 356.08712 176.3
[M+H-H2O]+ 300.12122 165.5
[M+HCOO]- 362.12216 176.9
[M+CH3COO]- 376.13781 200.9
[M+Na-2H]- 338.09863 169.2
[M]+ 317.12341 176.0
[M]- 317.12451 176.0
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.