CID 131847074

1352707-53-9

Structural Information

Molecular Formula
C9H18O8S2
SMILES
C[C@@H]([C@@H]([C@H]([C@H](C1S(=O)(=O)CCCS1(=O)=O)O)O)O)O
InChI
InChI=1S/C9H18O8S2/c1-5(10)6(11)7(12)8(13)9-18(14,15)3-2-4-19(9,16)17/h5-13H,2-4H2,1H3/t5-,6-,7+,8+/m0/s1
InChIKey
RPRMNJMZXDEYQK-RULNZFCNSA-N
Compound name
(1R,2R,3S,4S)-1-(1,1,3,3-tetraoxo-1,3-dithian-2-yl)pentane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0443 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.05158 162.1
[M+Na]+ 341.03352 164.8
[M+NH4]+ 336.07812 167.3
[M+K]+ 357.00746 159.7
[M-H]- 317.03702 156.6
[M+Na-2H]- 339.01897 162.9
[M]+ 318.04375 161.3
[M]- 318.04485 161.3
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

No patent data available for this compound.