CID 13991154

Beta-d-galactopyranosyl-(1->2)-[beta-d-galactopyranosyl-(1->4)]-d-galactose

Structural Information

Molecular Formula
C18H32O16
SMILES
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(C(O3)CO)O)O)O)O)CO)O)O)O)O
InChI
InChI=1S/C18H32O16/c19-1-4-7(22)9(24)11(26)17(31-4)33-14-6(3-21)30-16(29)15(13(14)28)34-18-12(27)10(25)8(23)5(2-20)32-18/h4-29H,1-3H2
InChIKey
GRDHQWBQPQWUOG-UHFFFAOYSA-N
Compound name
2-[4,6-dihydroxy-2-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.16904 Da
Monoisotopic Mass

-6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.17632 211.7
[M+Na]+ 527.15826 210.9
[M+NH4]+ 522.20286 210.4
[M+K]+ 543.13220 216.4
[M-H]- 503.16176 202.8
[M+Na-2H]- 525.14371 228.9
[M]+ 504.16849 208.1
[M]- 504.16959 208.1
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.