CID 21119020

D-glucopyranose, 1,2,3,4,6-pentakis(3-methylbutanoate)

Structural Information

Molecular Formula
C31H52O11
SMILES
CC(C)CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)CC(C)C)OC(=O)CC(C)C)OC(=O)CC(C)C)OC(=O)CC(C)C
InChI
InChI=1S/C31H52O11/c1-17(2)11-23(32)37-16-22-28(39-24(33)12-18(3)4)29(40-25(34)13-19(5)6)30(41-26(35)14-20(7)8)31(38-22)42-27(36)15-21(9)10/h17-22,28-31H,11-16H2,1-10H3/t22-,28-,29+,30-,31?/m1/s1
InChIKey
QDHUFMQUDACIBI-GQQDICNZSA-N
Compound name
[(2R,3R,4S,5R)-3,4,5,6-tetrakis(3-methylbutanoyloxy)oxan-2-yl]methyl 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

600.35095 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.35823 255.5
[M+Na]+ 623.34017 254.5
[M+NH4]+ 618.38477 262.8
[M+K]+ 639.31411 255.1
[M-H]- 599.34367 256.8
[M+Na-2H]- 621.32562 259.0
[M]+ 600.35040 256.5
[M]- 600.35150 256.5
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.