CID 475085

[tsao-t]-(ch2)6-[azt]

Structural Information

Molecular Formula
C40H66N8O12SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCCN2C(=O)C(=CN(C2=O)[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)C)[C@H]5C[C@@H]([C@H](O5)CO)N=[N+]=[N-]
InChI
InChI=1S/C40H66N8O12SSi2/c1-25-20-47(31-19-27(43-44-42)28(22-49)57-31)36(52)45(33(25)50)17-15-13-14-16-18-46-34(51)26(2)21-48(37(46)53)35-32(59-63(11,12)39(6,7)8)40(29(41)24-61(54,55)60-40)30(58-35)23-56-62(9,10)38(3,4)5/h20-21,24,27-28,30-32,35,49H,13-19,22-23,41H2,1-12H3/t27-,28+,30+,31+,32-,35+,40?/m0/s1
InChIKey
FJVXZHRGQIYAHM-GCKWIRGQSA-N
Compound name
3-[6-[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]hexyl]-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

938.40594 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 939.41322 256.3
[M+Na]+ 961.39516 265.7
[M-H]- 937.39866 257.6
[M+NH4]+ 956.43976 261.3
[M+K]+ 977.36910 258.2
[M+H-H2O]+ 921.40320 247.6
[M+HCOO]- 983.40414 262.4
[M+CH3COO]- 997.41979 314.5
[M+Na-2H]- 959.38061 277.7
[M]+ 938.40539 286.5
[M]- 938.40649 286.5
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.