CID 504706

D-glucitol, 2-(acetylamino)-2-deoxy-, 6-(dihydrogen phosphate)

Structural Information

Molecular Formula
C8H18NO9P
SMILES
CC(=O)N[C@@H](CO)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
InChI
InChI=1S/C8H18NO9P/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h5-8,10,12-14H,2-3H2,1H3,(H,9,11)(H2,15,16,17)/t5-,6+,7+,8+/m0/s1
InChIKey
WHHOIWRDVIBHSP-LXGUWJNJSA-N
Compound name
[(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.07193 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.07921 165.3
[M+Na]+ 326.06115 166.3
[M-H]- 302.06465 155.6
[M+NH4]+ 321.10575 168.0
[M+K]+ 342.03509 167.8
[M+H-H2O]+ 286.06919 157.7
[M+HCOO]- 348.07013 168.7
[M+CH3COO]- 362.08578 193.4
[M+Na-2H]- 324.04660 160.9
[M]+ 303.07138 164.0
[M]- 303.07248 164.0
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.