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 160.8
[M+Na]+ 321.07922 162.3
[M-H]- 297.08272 154.8
[M+NH4]+ 316.12382 168.9
[M+K]+ 337.05316 163.8
[M+H-H2O]+ 281.08726 155.1
[M+HCOO]- 343.08820 167.2
[M+CH3COO]- 357.10385 189.6
[M+Na-2H]- 319.06467 157.0
[M]+ 298.08945 157.1
[M]- 298.09055 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.