CID 162422425

Chebi:189418

Structural Information

Molecular Formula
C24H42O21
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)O[C@@H]3[C@H](O[C@H]([C@H]([C@H]3O)O)O[C@@H]4[C@H](OC([C@H]([C@H]4O)O)O)CO)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-10(29)12(31)17(36)23(43-8)45-20-7(3-27)42-24(18(37)14(20)33)44-19-6(2-26)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9+,10-,11+,12+,13-,14-,15+,16-,17+,18+,19-,20-,21?,22-,23+,24+/m1/s1
InChIKey
FPBCRLIOSBQLHS-KOYNTSQSSA-N
Compound name
(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5S,6S)-6-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

666.22186 Da
Monoisotopic Mass

-9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.22914 236.4
[M+Na]+ 689.21108 235.4
[M+NH4]+ 684.25568 235.5
[M+K]+ 705.18502 242.5
[M-H]- 665.21458 228.5
[M+Na-2H]- 687.19653 256.8
[M]+ 666.22131 233.6
[M]- 666.22241 233.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.