CID 151104

L-xylitol 5-phosphate

Structural Information

Molecular Formula
C5H13O8P
SMILES
C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O
InChI
InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1
InChIKey
VJDOAZKNBQCAGE-LMVFSUKVSA-N
Compound name
[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

349
References

3615
Patents

232.0348 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04208 149.6
[M+Na]+ 255.02402 153.2
[M-H]- 231.02752 140.2
[M+NH4]+ 250.06862 163.0
[M+K]+ 270.99796 153.4
[M+H-H2O]+ 215.03206 143.0
[M+HCOO]- 277.03300 166.9
[M+CH3COO]- 291.04865 175.8
[M+Na-2H]- 253.00947 148.2
[M]+ 232.03425 148.8
[M]- 232.03535 148.8
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