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]+ 299.09728 162.0
[M+Na]+ 321.07922 164.3
[M+NH4]+ 316.12382 162.5
[M+K]+ 337.05316 168.5
[M-H]- 297.08272 156.1
[M+Na-2H]- 319.06467 156.4
[M]+ 298.08945 159.5
[M]- 298.09055 159.5
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.