CID 468951

2-[[3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-5-[(3,4-dihydroxy-5-methoxy-tetrahydrofuran-2-yl)methoxy]-4-hydroxy-tetrahydrofuran-2-yl]methoxy]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C21H36O17
SMILES
COC1C(C(C(O1)COC2C(C(C(O2)COC3C(C(C(O3)CO)O)O)OC4C(C(C(O4)CO)O)O)O)O)O
InChI
InChI=1S/C21H36O17/c1-31-18-13(27)12(26)8(36-18)4-32-20-16(30)17(38-21-15(29)11(25)7(3-23)35-21)9(37-20)5-33-19-14(28)10(24)6(2-22)34-19/h6-30H,2-5H2,1H3
InChIKey
PDULSLLUKFTMJT-UHFFFAOYSA-N
Compound name
2-[[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(3,4-dihydroxy-5-methoxyoxolan-2-yl)methoxy]-4-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

560.19525 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.20253 231.1
[M+Na]+ 583.18447 230.7
[M-H]- 559.18797 228.3
[M+NH4]+ 578.22907 231.6
[M+K]+ 599.15841 247.2
[M+H-H2O]+ 543.19251 226.0
[M+HCOO]- 605.19345 233.3
[M+CH3COO]- 619.20910 237.2
[M+Na-2H]- 581.16992 239.9
[M]+ 560.19470 222.9
[M]- 560.19580 222.9
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.