CID 11556470

1-[(1r,3r,4r,5r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dioxo-1-(triisopropylsilyloxymethyl)-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-3,5-dimethyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C28H51N3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C(C)C)(C(C)C)C(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H51N3O8SSi2/c1-17(2)42(18(3)4,19(5)6)36-15-22-28(21(29)16-40(34,35)39-28)23(38-41(12,13)27(8,9)10)25(37-22)31-14-20(7)24(32)30(11)26(31)33/h14,16-19,22-23,25H,15,29H2,1-13H3/t22-,23+,25-,28-/m1/s1
InChIKey
XJYXWXMRBSNBPK-UBUPGXEESA-N
Compound name
1-[(5R,6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dioxo-6-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

645.2935 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.30078 236.1
[M+Na]+ 668.28272 240.7
[M-H]- 644.28622 243.3
[M+NH4]+ 663.32732 241.7
[M+K]+ 684.25666 243.5
[M+H-H2O]+ 628.29076 234.6
[M+HCOO]- 690.29170 239.5
[M+CH3COO]- 704.30735 266.7
[M+Na-2H]- 666.26817 235.6
[M]+ 645.29295 248.6
[M]- 645.29405 248.6
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.