CID 5273343

D-glucitol, 2,5-anhydro-1-deoxy-1-(eicosylsulfonyl)-

Structural Information

Molecular Formula
C26H52O6S
SMILES
CCCCCCCCCCCCCCCCCCCCS(=O)(=O)C[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O
InChI
InChI=1S/C26H52O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(30,31)22-24-26(29)25(28)23(21-27)32-24/h23-29H,2-22H2,1H3/t23-,24+,25-,26-/m1/s1
InChIKey
SFGRZUVMAFSYAP-XDZVQPMWSA-N
Compound name
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(icosylsulfonylmethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

492.34845 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.35573 225.9
[M+Na]+ 515.33767 225.1
[M-H]- 491.34117 222.8
[M+NH4]+ 510.38227 232.4
[M+K]+ 531.31161 219.8
[M+H-H2O]+ 475.34571 219.1
[M+HCOO]- 537.34665 232.2
[M+CH3COO]- 551.36230 233.6
[M+Na-2H]- 513.32312 218.8
[M]+ 492.34790 234.8
[M]- 492.34900 234.8
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.