CID 15958324

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

Structural Information

Molecular Formula
C28H52N2O8Si2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCC(=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/C28H52N2O8Si2/c1-19-17-30(26(34)29(24(19)33)16-14-13-15-21(31)35-8)25-23(38-40(11,12)28(5,6)7)22(32)20(37-25)18-36-39(9,10)27(2,3)4/h17,20,22-23,25,32H,13-16,18H2,1-12H3/t20-,22-,23-,25-/m1/s1
InChIKey
FTKWENGKPCRHAO-HBAHCVPVSA-N
Compound name
methyl 5-[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]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

600.32623 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.33351 238.7
[M+Na]+ 623.31545 242.1
[M-H]- 599.31895 241.8
[M+NH4]+ 618.36005 232.9
[M+K]+ 639.28939 242.9
[M+H-H2O]+ 583.32349 232.4
[M+HCOO]- 645.32443 249.2
[M+CH3COO]- 659.34008 257.2
[M+Na-2H]- 621.30090 237.3
[M]+ 600.32568 250.1
[M]- 600.32678 250.1
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.