CID 21118955

Glucose, 2,3,4,6-tetrakis(3-methylbutanoate)

Structural Information

Molecular Formula
C26H44O10
SMILES
CC(C)CC(=O)OC[C@H]([C@H]([C@@H]([C@H](C=O)OC(=O)CC(C)C)OC(=O)CC(C)C)OC(=O)CC(C)C)O
InChI
InChI=1S/C26H44O10/c1-15(2)9-21(29)33-14-19(28)25(35-23(31)11-17(5)6)26(36-24(32)12-18(7)8)20(13-27)34-22(30)10-16(3)4/h13,15-20,25-26,28H,9-12,14H2,1-8H3/t19-,20+,25-,26-/m1/s1
InChIKey
WBUNPXFRBBHRLC-KYVQNOJUSA-N
Compound name
[(2R,3R,4S,5R)-2-hydroxy-3,4,5-tris(3-methylbutanoyloxy)-6-oxohexyl] 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.29346 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.30074 234.2
[M+Na]+ 539.28268 234.7
[M+NH4]+ 534.32728 244.9
[M+K]+ 555.25662 236.0
[M-H]- 515.28618 238.0
[M+Na-2H]- 537.26813 240.2
[M]+ 516.29291 236.2
[M]- 516.29401 236.2
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.