CID 465385

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

Structural Information

Molecular Formula
C23H40IN3O8SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=C(C(=O)NC3=O)I)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C23H40IN3O8SSi2/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
DTVPRIRUUNLBQH-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-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

701.11194 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 702.11922 241.6
[M+Na]+ 724.10116 241.0
[M-H]- 700.10466 240.9
[M+NH4]+ 719.14576 244.2
[M+K]+ 740.07510 247.7
[M+H-H2O]+ 684.10920 235.9
[M+HCOO]- 746.11014 241.8
[M+CH3COO]- 760.12579 253.8
[M+Na-2H]- 722.08661 234.9
[M]+ 701.11139 247.6
[M]- 701.11249 247.6
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.