CID 3320869

2-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula
C24H42O21
SMILES
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-12(30)16(34)19(37)23(43-8)45-24(5-27)20(38)13(31)9(44-24)4-40-22-18(36)15(33)11(29)7(2-26)42-22/h6-23,25-38H,1-5H2
InChIKey
VGKIRQHUZIZMIP-UHFFFAOYSA-N
Compound name
2-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

666.22186 Da
Monoisotopic Mass

-8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.22914 235.0
[M+Na]+ 689.21108 234.0
[M+NH4]+ 684.25568 234.0
[M+K]+ 705.18502 240.5
[M-H]- 665.21458 226.8
[M+Na-2H]- 687.19653 251.4
[M]+ 666.22131 232.1
[M]- 666.22241 232.1
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.