CID 10960161

Ethyl 2,3,4,6-tetra-o-acetyl-1-thio-beta-d-glucopyranoside

Structural Information

Molecular Formula
C16H24O9S
SMILES
CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H24O9S/c1-6-26-16-15(24-11(5)20)14(23-10(4)19)13(22-9(3)18)12(25-16)7-21-8(2)17/h12-16H,6-7H2,1-5H3/t12-,13-,14+,15-,16+/m1/s1
InChIKey
YPNFVZQPWZMHIF-LJIZCISZSA-N
Compound name
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

392.1141 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.12138 184.3
[M+Na]+ 415.10332 188.0
[M-H]- 391.10682 187.6
[M+NH4]+ 410.14792 194.7
[M+K]+ 431.07726 190.0
[M+H-H2O]+ 375.11136 177.8
[M+HCOO]- 437.11230 194.8
[M+CH3COO]- 451.12795 218.9
[M+Na-2H]- 413.08877 179.4
[M]+ 392.11355 194.4
[M]- 392.11465 194.4
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

patents stripe