CID 493609

1-[2-5-bis(o-tert-butyldimethylsilyl)-3-c-methoxycarbonylmethyl-.beta.-d-xylofuranosyl]uracil

Structural Information

Molecular Formula
C24H44N2O8Si2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C(C([C@@H](O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C)(CC(=O)OC)O
InChI
InChI=1S/C24H44N2O8Si2/c1-22(2,3)35(8,9)32-15-16-24(30,14-18(28)31-7)19(34-36(10,11)23(4,5)6)20(33-16)26-13-12-17(27)25-21(26)29/h12-13,16,19-20,30H,14-15H2,1-11H3,(H,25,27,29)/t16-,19?,20-,24?/m1/s1
InChIKey
IIDBYYRBAGXSHW-XVLQMAQLSA-N
Compound name
methyl 2-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

544.2636 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.27088 219.9
[M+Na]+ 567.25282 223.9
[M-H]- 543.25632 221.9
[M+NH4]+ 562.29742 225.3
[M+K]+ 583.22676 225.1
[M+H-H2O]+ 527.26086 215.2
[M+HCOO]- 589.26180 226.2
[M+CH3COO]- 603.27745 240.6
[M+Na-2H]- 565.23827 223.1
[M]+ 544.26305 228.0
[M]- 544.26415 228.0
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.