CID 2728906

53438-23-6

Structural Information

Molecular Formula
C20H24O11S
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C20H24O11S/c1-11(21)27-10-16-17(28-12(2)22)18(29-13(3)23)19(30-14(4)24)20(31-16)32(25,26)15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17-,18+,19-,20+/m1/s1
InChIKey
VXOKXXTVFUEGRC-OBKDMQGPSA-N
Compound name
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(benzenesulfonyl)oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.10394 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.11122 198.1
[M+Na]+ 495.09316 201.1
[M-H]- 471.09666 204.4
[M+NH4]+ 490.13776 204.3
[M+K]+ 511.06710 203.5
[M+H-H2O]+ 455.10120 190.5
[M+HCOO]- 517.10214 208.1
[M+CH3COO]- 531.11779 230.6
[M+Na-2H]- 493.07861 196.3
[M]+ 472.10339 208.0
[M]- 472.10449 208.0
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.