CID 91855034

Rha(a1-3)gal(a1-3)fuc

Structural Information

Molecular Formula
C18H32O14
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)O[C@@H]3[C@@H]([C@@H](OC([C@H]3O)O)C)O)CO)O)O)O)O
InChI
InChI=1S/C18H32O14/c1-4-7(20)10(23)11(24)17(29-4)32-15-9(22)6(3-19)30-18(13(15)26)31-14-8(21)5(2)28-16(27)12(14)25/h4-27H,3H2,1-2H3/t4-,5-,6+,7-,8+,9-,10+,11+,12-,13+,14+,15-,16?,17-,18+/m0/s1
InChIKey
JUZCTRWLASLKLG-PTIVJGTMSA-N
Compound name
(3S,4R,5R,6S)-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxane-2,3,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.1792 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.18648 211.0
[M+Na]+ 495.16842 210.9
[M-H]- 471.17192 202.6
[M+NH4]+ 490.21302 210.0
[M+K]+ 511.14236 210.7
[M+H-H2O]+ 455.17646 204.6
[M+HCOO]- 517.17740 212.5
[M+CH3COO]- 531.19305 229.4
[M+Na-2H]- 493.15387 234.6
[M]+ 472.17865 207.6
[M]- 472.17975 207.6
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.