CID 440660

D-gal alpha 1->6d-gal alpha 1->6d-glucose

Structural Information

Molecular Formula
C18H32O16
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H](C(O3)O)O)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2/t4-,5-,6-,7+,8-,9+,10+,11+,12+,13-,14-,15-,16?,17+,18+/m1/s1
InChIKey
FBJQEBRMDXPWNX-SMGIPPFUSA-N
Compound name
(3R,4S,5S,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

908
Patents

504.16904 Da
Monoisotopic Mass

-6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.176316 211.7
[M+Na]+ 527.158258 210.9
[M-H]- 503.161764 203.0
[M+NH4]+ 522.202863 210.4
[M+K]+ 543.132198 212.0
[M+H-H2O]+ 487.166300 205.8
[M+HCOO]- 549.167241 212.9
[M+CH3COO]- 563.182891 217.6
[M+Na-2H]- 525.143706 235.1
[M]+ 504.16849142 206.6
[M]- 504.16958858 206.6
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.