CID 504715

D-glucitol, 2-(acetylamino)-2-deoxy-6-o-(ethoxyhydroxyphosphinyl)-

Structural Information

Molecular Formula
C10H22NO9P
SMILES
CCOP(=O)(O)OC[C@H]([C@H]([C@@H]([C@H](CO)NC(=O)C)O)O)O
InChI
InChI=1S/C10H22NO9P/c1-3-19-21(17,18)20-5-8(14)10(16)9(15)7(4-12)11-6(2)13/h7-10,12,14-16H,3-5H2,1-2H3,(H,11,13)(H,17,18)/t7-,8+,9+,10+/m0/s1
InChIKey
IAGJSGNBVWXUAY-SGIHWFKDSA-N
Compound name
[(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] ethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.1032 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11048 173.6
[M+Na]+ 354.09242 181.9
[M-H]- 330.09592 181.2
[M+NH4]+ 349.13702 178.8
[M+K]+ 370.06636 176.0
[M+H-H2O]+ 314.10046 165.6
[M+HCOO]- 376.10140 178.2
[M+CH3COO]- 390.11705 201.1
[M+Na-2H]- 352.07787 168.9
[M]+ 331.10265 171.7
[M]- 331.10375 171.7
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.