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 228.2
[M+Na]+ 539.28268 237.5
[M-H]- 515.28618 235.8
[M+NH4]+ 534.32728 248.8
[M+K]+ 555.25662 238.5
[M+H-H2O]+ 499.29072 235.1
[M+HCOO]- 561.29166 215.1
[M+CH3COO]- 575.30731 246.9
[M+Na-2H]- 537.26813 221.3
[M]+ 516.29291 230.7
[M]- 516.29401 230.7
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.