CID 3079328

Alpha-d-galactopyranose, pentabutanoate

Structural Information

Molecular Formula
C26H42O11
SMILES
CCCC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC
InChI
InChI=1S/C26H42O11/c1-6-11-18(27)32-16-17-23(34-19(28)12-7-2)24(35-20(29)13-8-3)25(36-21(30)14-9-4)26(33-17)37-22(31)15-10-5/h17,23-26H,6-16H2,1-5H3/t17-,23+,24+,25-,26-/m1/s1
InChIKey
URBLVNWOCAGFPV-JKYBTISASA-N
Compound name
[(2R,3S,4S,5R,6R)-3,4,5,6-tetra(butanoyloxy)oxan-2-yl]methyl butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.2727 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.27998 236.8
[M+Na]+ 553.26192 236.6
[M+NH4]+ 548.30652 240.4
[M+K]+ 569.23586 235.3
[M-H]- 529.26542 233.9
[M+Na-2H]- 551.24737 240.4
[M]+ 530.27215 236.4
[M]- 530.27325 236.4
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.