CID 15958313

2,4(1h,3h)-pyrimidinedione, 1-[2,5-bis-o-[(1,1-dimethylethyl)dimethylsilyl]-.beta.-d-ribofuranosyl]-3-(2-methoxy-2-oxoethyl)-5-methyl-

Structural Information

Molecular Formula
C25H46N2O8Si2
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)OC)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H46N2O8Si2/c1-16-13-27(23(31)26(21(16)30)14-18(28)32-8)22-20(35-37(11,12)25(5,6)7)19(29)17(34-22)15-33-36(9,10)24(2,3)4/h13,17,19-20,22,29H,14-15H2,1-12H3/t17-,19-,20-,22-/m1/s1
InChIKey
HFXFVMUAACJKBK-JWUVWSEFSA-N
Compound name
methyl 2-[3-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

558.2793 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.28658 225.5
[M+Na]+ 581.26852 230.3
[M-H]- 557.27202 229.3
[M+NH4]+ 576.31312 229.6
[M+K]+ 597.24246 231.6
[M+H-H2O]+ 541.27656 219.8
[M+HCOO]- 603.27750 232.8
[M+CH3COO]- 617.29315 248.9
[M+Na-2H]- 579.25397 225.5
[M]+ 558.27875 236.0
[M]- 558.27985 236.0
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.