CID 5274319

[(2r,5r)-4-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(isopropylsulfamoyloxymethyl)tetrahydrofuran-3-yl] benzoate

Structural Information

Molecular Formula
C26H27N3O10S
SMILES
CC(C)NS(=O)(=O)OC[C@@H]1C(C([C@@H](O1)N2C=CC(=O)NC2=O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H27N3O10S/c1-16(2)28-40(34,35)36-15-19-21(38-24(31)17-9-5-3-6-10-17)22(39-25(32)18-11-7-4-8-12-18)23(37-19)29-14-13-20(30)27-26(29)33/h3-14,16,19,21-23,28H,15H2,1-2H3,(H,27,30,33)/t19-,21?,22?,23-/m1/s1
InChIKey
DRUNQTHHWMABFD-SDXIKQIGSA-N
Compound name
[(2R,5R)-4-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.1417 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.14898 226.5
[M+Na]+ 596.13092 229.1
[M-H]- 572.13442 236.1
[M+NH4]+ 591.17552 225.7
[M+K]+ 612.10486 228.6
[M+H-H2O]+ 556.13896 216.5
[M+HCOO]- 618.13990 236.7
[M+CH3COO]- 632.15555 248.6
[M+Na-2H]- 594.11637 225.3
[M]+ 573.14115 232.9
[M]- 573.14225 232.9
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.