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

24
Patents

212.0177 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.024976 139.2
[M+Na]+ 235.006918 146.0
[M-H]- 211.010424 139.2
[M+NH4]+ 230.051523 155.6
[M+K]+ 250.980858 143.0
[M+H-H2O]+ 195.014960 134.8
[M+HCOO]- 257.015901 144.8
[M+CH3COO]- 271.031551 177.8
[M+Na-2H]- 232.992366 138.3
[M]+ 212.01715142 138.9
[M]- 212.01824858 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.