CID 493795

[1-[2',5'-bis-o-(tert-butyldimethylsilyl)-.beta.-d-ribofuranosyl]-3-n-(methyl)thymine]-3'-spiro-5""-(4""-amino-3""-(1-propynyl)-1"",2""-oxathiole-2"",2""-dioxide)

Structural Information

Molecular Formula
C28H47N3O8SSi2
SMILES
CC#CC1=C(C2([C@H](O[C@H]([C@@H]2O[Si](C)(C)C(C)(C)C)N3C=C(C(=O)N(C3=O)C)C)CO[Si](C)(C)C(C)(C)C)OS1(=O)=O)N
InChI
InChI=1S/C28H47N3O8SSi2/c1-14-15-19-21(29)28(39-40(19,34)35)20(17-36-41(10,11)26(3,4)5)37-24(22(28)38-42(12,13)27(6,7)8)31-16-18(2)23(32)30(9)25(31)33/h16,20,22,24H,17,29H2,1-13H3/t20-,22+,24-,28?/m1/s1
InChIKey
GBCIJBJNVOHBEI-LYRWLZIASA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-3-prop-1-ynyl-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

641.26227 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 642.26955 243.3
[M+Na]+ 664.25149 251.9
[M-H]- 640.25499 248.3
[M+NH4]+ 659.29609 248.3
[M+K]+ 680.22543 251.5
[M+H-H2O]+ 624.25953 234.7
[M+HCOO]- 686.26047 243.7
[M+CH3COO]- 700.27612 262.6
[M+Na-2H]- 662.23694 244.0
[M]+ 641.26172 249.0
[M]- 641.26282 249.0
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.