CID 446000

Methyl 4-thio-alpha-d-glucopyranoside

Structural Information

Molecular Formula
C7H14O5S
SMILES
CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)S)O)O
InChI
InChI=1S/C7H14O5S/c1-11-7-5(10)4(9)6(13)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1
InChIKey
PFROTWRHYMLGHR-GKHCUFPYSA-N
Compound name
(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methoxy-5-sulfanyloxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

210.0562 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.063476 141.8
[M+Na]+ 233.045418 148.7
[M-H]- 209.048924 142.2
[M+NH4]+ 228.090023 158.3
[M+K]+ 249.019358 147.6
[M+H-H2O]+ 193.053460 137.1
[M+HCOO]- 255.054401 153.0
[M+CH3COO]- 269.070051 178.0
[M+Na-2H]- 231.030866 142.3
[M]+ 210.05565142 142.7
[M]- 210.05674858 142.7
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

patents stripe