CID 15956344

[(2r,3s,5r)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-[(4s)-2,4-dimethyl-4-(methylsulfanylmethoxy)tetrahydrofuran-2-yl]acetate

Structural Information

Molecular Formula
C26H44N2O8SSi
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CC3(C[C@](CO3)(C)OCSC)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H44N2O8SSi/c1-17-12-28(23(31)27-22(17)30)20-10-18(36-38(8,9)24(2,3)4)19(35-20)13-32-21(29)11-25(5)14-26(6,15-33-25)34-16-37-7/h12,18-20H,10-11,13-16H2,1-9H3,(H,27,30,31)/t18-,19+,20+,25?,26-/m0/s1
InChIKey
HFDYRWSLZWTVOV-CZVHPUTPSA-N
Compound name
[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-[(4S)-2,4-dimethyl-4-(methylsulfanylmethoxy)oxolan-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.2588 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.26608 226.3
[M+Na]+ 595.24802 230.4
[M-H]- 571.25152 232.9
[M+NH4]+ 590.29262 233.3
[M+K]+ 611.22196 231.5
[M+H-H2O]+ 555.25606 223.0
[M+HCOO]- 617.25700 231.1
[M+CH3COO]- 631.27265 246.3
[M+Na-2H]- 593.23347 224.9
[M]+ 572.25825 237.1
[M]- 572.25935 237.1
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.