CID 465384

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

Structural Information

Molecular Formula
C23H40FN3O8SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=C(C(=O)NC3=O)F)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C23H40FN3O8SSi2/c1-21(2,3)37(7,8)32-12-16-23(15(25)13-36(30,31)35-23)17(34-38(9,10)22(4,5)6)19(33-16)27-11-14(24)18(28)26-20(27)29/h11,13,16-17,19H,12,25H2,1-10H3,(H,26,28,29)/t16-,17+,19-,23?/m1/s1
InChIKey
YIBICVVIHWNCNI-RPNIPRFFSA-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-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

593.2059 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.21318 224.8
[M+Na]+ 616.19512 231.5
[M-H]- 592.19862 229.8
[M+NH4]+ 611.23972 231.7
[M+K]+ 632.16906 232.6
[M+H-H2O]+ 576.20316 222.3
[M+HCOO]- 638.20410 228.6
[M+CH3COO]- 652.21975 249.4
[M+Na-2H]- 614.18057 229.9
[M]+ 593.20535 233.3
[M]- 593.20645 233.3
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.