CID 455234

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

Structural Information

Molecular Formula
C24H41N5O8SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C4=C(C(=O)NC3=O)NC=N4)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C24H41N5O8SSi2/c1-22(2,3)39(7,8)34-11-15-24(14(25)12-38(32,33)37-24)17(36-40(9,10)23(4,5)6)20(35-15)29-18-16(26-13-27-18)19(30)28-21(29)31/h12-13,15,17,20H,11,25H2,1-10H3,(H,26,27)(H,28,30,31)/t15-,17+,20-,24?/m1/s1
InChIKey
JNBMSSBAHNLWKJ-PGCSCVJBSA-N
Compound name
3-[(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]-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

615.22144 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 616.22872 235.8
[M+Na]+ 638.21066 243.1
[M-H]- 614.21416 240.8
[M+NH4]+ 633.25526 241.4
[M+K]+ 654.18460 244.2
[M+H-H2O]+ 598.21870 235.2
[M+HCOO]- 660.21964 238.4
[M+CH3COO]- 674.23529 250.5
[M+Na-2H]- 636.19611 240.8
[M]+ 615.22089 245.8
[M]- 615.22199 245.8
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.