CID 15958327

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

Structural Information

Molecular Formula
C23H42N2O8Si2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)N(C2=O)CC(=O)O)O[Si](C)(C)C(C)(C)C)O
InChI
InChI=1S/C23H42N2O8Si2/c1-22(2,3)34(7,8)31-14-15-18(29)19(33-35(9,10)23(4,5)6)20(32-15)24-12-11-16(26)25(21(24)30)13-17(27)28/h11-12,15,18-20,29H,13-14H2,1-10H3,(H,27,28)/t15-,18-,19-,20-/m1/s1
InChIKey
ITRYLVBENFPIAS-HUYLIWGRSA-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]-2,6-dioxopyrimidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

530.248 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.25528 218.3
[M+Na]+ 553.23722 222.5
[M-H]- 529.24072 220.6
[M+NH4]+ 548.28182 222.4
[M+K]+ 569.21116 223.3
[M+H-H2O]+ 513.24526 212.6
[M+HCOO]- 575.24620 224.7
[M+CH3COO]- 589.26185 240.4
[M+Na-2H]- 551.22267 219.2
[M]+ 530.24745 225.9
[M]- 530.24855 225.9
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.