CID 15958329

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

Structural Information

Molecular Formula
C25H46N2O8Si2
SMILES
CCC1=CN(C(=O)N(C1=O)CC(=O)O)[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/c1-12-16-13-27(23(32)26(21(16)31)14-18(28)29)22-20(35-37(10,11)25(5,6)7)19(30)17(34-22)15-33-36(8,9)24(2,3)4/h13,17,19-20,22,30H,12,14-15H2,1-11H3,(H,28,29)/t17-,19-,20-,22-/m1/s1
InChIKey
IBROXRXBKLZNJH-JWUVWSEFSA-N
Compound name
2-[3-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-ethyl-2,6-dioxopyrimidin-1-yl]acetic acid
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 226.2
[M+Na]+ 581.26852 230.3
[M-H]- 557.27202 228.5
[M+NH4]+ 576.31312 229.4
[M+K]+ 597.24246 230.9
[M+H-H2O]+ 541.27656 220.6
[M+HCOO]- 603.27750 231.9
[M+CH3COO]- 617.29315 247.5
[M+Na-2H]- 579.25397 225.7
[M]+ 558.27875 234.8
[M]- 558.27985 234.8
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.