CID 15958326

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

Structural Information

Molecular Formula
C27H50N2O8Si2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCC(=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/C27H50N2O8Si2/c1-18-16-29(25(34)28(23(18)33)15-13-12-14-20(30)31)24-22(37-39(10,11)27(5,6)7)21(32)19(36-24)17-35-38(8,9)26(2,3)4/h16,19,21-22,24,32H,12-15,17H2,1-11H3,(H,30,31)/t19-,21-,22-,24-/m1/s1
InChIKey
DCMNKOIUQJPMFE-VDEHWKIFSA-N
Compound name
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]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

586.31055 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.31783 234.9
[M+Na]+ 609.29977 238.1
[M-H]- 585.30327 236.8
[M+NH4]+ 604.34437 224.5
[M+K]+ 625.27371 238.4
[M+H-H2O]+ 569.30781 228.9
[M+HCOO]- 631.30875 239.9
[M+CH3COO]- 645.32440 253.1
[M+Na-2H]- 607.28522 233.5
[M]+ 586.31000 244.2
[M]- 586.31110 244.2
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.