CID 455241

[7-[2',5'-bis-o-(tert-butyldimethylsilyl)-.beta.-d-ribofuranosyl]-n-methylhypoxanthine]-3'-spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide)

Structural Information

Molecular Formula
C25H43N5O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=NC4=C3C(=O)N(C=N4)C)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C25H43N5O7SSi2/c1-23(2,3)39(8,9)34-12-17-25(16(26)13-38(32,33)37-25)19(36-40(10,11)24(4,5)6)22(35-17)30-15-28-20-18(30)21(31)29(7)14-27-20/h13-15,17,19,22H,12,26H2,1-11H3/t17-,19+,22-,25?/m1/s1
InChIKey
CTWRBVJSDMAFHD-GDIVDRGHSA-N
Compound name
7-[(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]-1-methylpurin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

613.2422 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 614.24948 236.9
[M+Na]+ 636.23142 245.1
[M-H]- 612.23492 244.4
[M+NH4]+ 631.27602 244.2
[M+K]+ 652.20536 247.0
[M+H-H2O]+ 596.23946 235.4
[M+HCOO]- 658.24040 241.8
[M+CH3COO]- 672.25605 255.1
[M+Na-2H]- 634.21687 241.2
[M]+ 613.24165 249.9
[M]- 613.24275 249.9
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.