CID 475073

[1-[2',5'-bis[o-(tert-butyldimethylsilyl)]-.beta.-d-ribofuranosyl]-3-n-(3-bromopropyl)thymine]-3-spiro-5""-(4""-amino-1"",2""-oxathiole2"",2""-dioxide)

Structural Information

Molecular Formula
C27H48BrN3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCBr)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H48BrN3O8SSi2/c1-18-15-31(24(33)30(22(18)32)14-12-13-28)23-21(38-42(10,11)26(5,6)7)27(19(29)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h15,17,20-21,23H,12-14,16,29H2,1-11H3/t20-,21+,23-,27?/m1/s1
InChIKey
FSLOZABKCLFRSX-HEXPWKSXSA-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-bromopropyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

709.1884 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 710.19568 236.5
[M+Na]+ 732.17762 244.9
[M-H]- 708.18112 245.7
[M+NH4]+ 727.22222 244.0
[M+K]+ 748.15156 238.5
[M+H-H2O]+ 692.18566 239.8
[M+HCOO]- 754.18660 240.2
[M+CH3COO]- 768.20225 265.2
[M+Na-2H]- 730.16307 241.9
[M]+ 709.18785 266.4
[M]- 709.18895 266.4
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.