CID 15958310

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

Structural Information

Molecular Formula
C28H52N2O8Si2
SMILES
CCCC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)N(C2=O)CC(=O)O)C)O[Si](C)(C)C(C)(C)CCC)O
InChI
InChI=1S/C28H52N2O8Si2/c1-12-14-27(4,5)39(8,9)36-18-20-22(33)23(38-40(10,11)28(6,7)15-13-2)25(37-20)30-16-19(3)24(34)29(26(30)35)17-21(31)32/h16,20,22-23,25,33H,12-15,17-18H2,1-11H3,(H,31,32)/t20-,22-,23-,25-/m1/s1
InChIKey
IHMVGLXZHRXXIQ-HBAHCVPVSA-N
Compound name
2-[3-[(2R,3R,4R,5R)-3-[dimethyl(2-methylpentan-2-yl)silyl]oxy-5-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetic acid
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 238.5
[M+Na]+ 623.31545 241.1
[M-H]- 599.31895 240.2
[M+NH4]+ 618.36005 226.9
[M+K]+ 639.28939 241.3
[M+H-H2O]+ 583.32349 232.3
[M+HCOO]- 645.32443 243.6
[M+CH3COO]- 659.34008 257.1
[M+Na-2H]- 621.30090 236.8
[M]+ 600.32568 248.3
[M]- 600.32678 248.3
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.