CID 54758703

(2s,3r,4s,5r,6r)-2-[[(1s,3r,4s,5s,8r)-3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula
C12H20O10
SMILES
C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C12H20O10/c13-1-3-5(14)6(15)7(16)12(21-3)22-9-4-2-19-10(9)8(17)11(18)20-4/h3-18H,1-2H2/t3-,4+,5+,6+,7-,8+,9-,10+,11-,12+/m1/s1
InChIKey
PJZDEFWGKUGLDC-TXQQXJIQSA-N
Compound name
(2S,3R,4S,5R,6R)-2-[[(1S,3R,4S,5S,8R)-3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

324.10565 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11293 167.9
[M+Na]+ 347.09487 172.9
[M+NH4]+ 342.13947 171.1
[M+K]+ 363.06881 176.5
[M-H]- 323.09837 168.2
[M+Na-2H]- 345.08032 161.4
[M]+ 324.10510 167.9
[M]- 324.10620 167.9
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.