CID 3011357

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

Structural Information

Molecular Formula
C27H47N3O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CC2CO2)[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H47N3O9SSi2/c1-17-12-30(24(32)29(22(17)31)13-18-14-35-18)23-21(38-42(10,11)26(5,6)7)27(19(28)16-40(33,34)39-27)20(37-23)15-36-41(8,9)25(2,3)4/h12,16,18,20-21,23H,13-15,28H2,1-11H3/t18?,20-,21+,23-,27?/m1/s1
InChIKey
AZWSLTONIFOIJA-CUJKIFIFSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methyl-3-(oxiran-2-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

645.25714 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.26442 233.3
[M+Na]+ 668.24636 240.0
[M-H]- 644.24986 244.1
[M+NH4]+ 663.29096 233.3
[M+K]+ 684.22030 242.5
[M+H-H2O]+ 628.25440 233.0
[M+HCOO]- 690.25534 236.7
[M+CH3COO]- 704.27099 262.5
[M+Na-2H]- 666.23181 238.2
[M]+ 645.25659 249.3
[M]- 645.25769 249.3
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.