CID 493518

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]-3-[3-[1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]propyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C36H59N5O13SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O)[C@H]4[C@@H](C5([C@H](O4)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O5)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C36H59N5O13SSi2/c1-21-16-41(33(47)39(30(21)45)14-12-13-22-17-40(32(46)38-29(22)44)27-15-23(43)24(18-42)51-27)31-28(53-57(10,11)35(5,6)7)36(25(37)20-55(48,49)54-36)26(52-31)19-50-56(8,9)34(2,3)4/h16-17,20,23-24,26-28,31,42-43H,12-15,18-19,37H2,1-11H3,(H,38,44,46)/t23-,24+,26+,27+,28-,31+,36?/m0/s1
InChIKey
WGFZTNOYEQZJST-LQXCARHOSA-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]-3-[3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

857.33685 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 858.34413 241.5
[M+Na]+ 880.32607 250.5
[M-H]- 856.32957 240.5
[M+NH4]+ 875.37067 244.5
[M+K]+ 896.30001 242.0
[M+H-H2O]+ 840.33411 231.0
[M+HCOO]- 902.33505 246.1
[M+CH3COO]- 916.35070 249.7
[M+Na-2H]- 878.31152 248.5
[M]+ 857.33630 253.7
[M]- 857.33740 253.7
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.