CID 137333911

D-xylobionate

Structural Information

Molecular Formula
C10H18O10
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H](CO)[C@@H]([C@H](C(=O)O)O)O)O)O)O
InChI
InChI=1S/C10H18O10/c11-1-4(6(14)7(15)9(17)18)20-10-8(16)5(13)3(12)2-19-10/h3-8,10-16H,1-2H2,(H,17,18)/t3-,4-,5+,6+,7-,8-,10+/m1/s1
InChIKey
DGXURXUMSDNLNT-LGPZGGMRSA-N
Compound name
(2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.097276 160.8
[M+Na]+ 321.079218 162.3
[M-H]- 297.082724 154.8
[M+NH4]+ 316.123823 168.9
[M+K]+ 337.053158 163.8
[M+H-H2O]+ 281.087260 155.1
[M+HCOO]- 343.088201 167.2
[M+CH3COO]- 357.103851 189.6
[M+Na-2H]- 319.064666 157.0
[M]+ 298.08945142 157.1
[M]- 298.09054858 157.1
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.