CID 131751282

Beta-d-3-[5-deoxy-5-(dimethylarsinyl)ribofuranosyloxy]-2-hydroxy-1-propanesulfonic acid

Structural Information

Molecular Formula
C10H21AsO9S
SMILES
C[As](=O)(C)CC1C(C(C(O1)OCC(COS(=O)O)O)O)O
InChI
InChI=1S/C10H21AsO9S/c1-11(2,15)3-7-8(13)9(14)10(20-7)18-4-6(12)5-19-21(16)17/h6-10,12-14H,3-5H2,1-2H3,(H,16,17)
InChIKey
GTSZMQQESJQGCI-UHFFFAOYSA-N
Compound name
[3-[5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropyl] hydrogen sulfite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.01224 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.01952 180.0
[M+Na]+ 415.00146 183.2
[M-H]- 391.00496 177.7
[M+NH4]+ 410.04606 191.1
[M+K]+ 430.97540 183.2
[M+H-H2O]+ 375.00950 174.9
[M+HCOO]- 437.01044 187.5
[M+CH3COO]- 451.02609 198.4
[M+Na-2H]- 412.98691 177.2
[M]+ 392.01169 184.8
[M]- 392.01279 184.8
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.