CID 445237

1,4-dithio-alpha-d-glucopyranose

Structural Information

Molecular Formula
C6H12O4S2
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)S)O
InChI
InChI=1S/C6H12O4S2/c7-1-2-5(11)3(8)4(9)6(12)10-2/h2-9,11-12H,1H2/t2-,3-,4-,5-,6-/m1/s1
InChIKey
MUOMBPNNVXJUGT-QZABAPFNSA-N
Compound name
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,5-bis(sulfanyl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

212.0177 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02498 139.2
[M+Na]+ 235.00692 146.0
[M-H]- 211.01042 139.2
[M+NH4]+ 230.05152 155.6
[M+K]+ 250.98086 143.0
[M+H-H2O]+ 195.01496 134.8
[M+HCOO]- 257.01590 144.8
[M+CH3COO]- 271.03155 177.8
[M+Na-2H]- 232.99237 138.3
[M]+ 212.01715 138.9
[M]- 212.01825 138.9
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.