CID 3011334

1(2h)-pyrimidineacetic acid, 3-[(6r,8r,9r)-4-amino-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3,6-dihydro-5-methyl-2,6-dioxo-, methyl ester

Structural Information

Molecular Formula
C27H47N3O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)OC)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H47N3O10SSi2/c1-17-13-30(24(33)29(22(17)32)14-20(31)36-8)23-21(39-43(11,12)26(5,6)7)27(18(28)16-41(34,35)40-27)19(38-23)15-37-42(9,10)25(2,3)4/h13,16,19,21,23H,14-15,28H2,1-12H3/t19-,21+,23-,27?/m1/s1
InChIKey
MUAVRURLKLXTBM-WTGDQTFLSA-N
Compound name
methyl 2-[3-[(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-2,6-dioxopyrimidin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

661.2521 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.25938 237.0
[M+Na]+ 684.24132 242.0
[M-H]- 660.24482 244.2
[M+NH4]+ 679.28592 241.7
[M+K]+ 700.21526 245.7
[M+H-H2O]+ 644.24936 235.7
[M+HCOO]- 706.25030 241.5
[M+CH3COO]- 720.26595 265.3
[M+Na-2H]- 682.22677 242.3
[M]+ 661.25155 251.3
[M]- 661.25265 251.3
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.