CID 86574937

Sodium cellulose sulfate

Structural Information

Molecular Formula
C23H40O31S4
SMILES
C1[C@H](O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@@H]4OS(=O)(=O)O)OS(=O)(=O)O)O)CO)O)O)CO)COS(=O)(=O)O
InChI
InChI=1S/C23H40O31S4/c24-2-8-16(50-23-15(52-56(35,36)37)7(26)1-6(46-23)4-45-55(32,33)34)12(28)14(30)22(49-8)51-21-13(29)11(27)10(5-44-21)47-17-9(3-25)48-20(31)19(54-58(41,42)43)18(17)53-57(38,39)40/h6-31H,1-5H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)/t6-,7-,8+,9+,10+,11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-/m0/s1
InChIKey
GYNAYXFRCBVFOE-XBZOGAIXSA-N
Compound name
[(2S,3R,4S,6S)-2-[(2R,3S,4R,5R,6S)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4R,5R,6R)-6-hydroxy-2-(hydroxymethyl)-4,5-disulfooxyoxan-3-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

940.04364 Da
Monoisotopic Mass

-9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 941.05092 254.1
[M+Na]+ 963.03286 257.8
[M+NH4]+ 958.07746 255.9
[M+K]+ 979.00680 261.9
[M-H]- 939.03636 249.8
[M+Na-2H]- 961.01831 283.2
[M]+ 940.04309 254.3
[M]- 940.04419 254.3
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.