CID 3003192

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

Structural Information

Molecular Formula
C24H43N3O7S2Si2
SMILES
CC1=CN(C(=O)NC1=S)[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/C24H43N3O7S2Si2/c1-15-12-27(21(28)26-19(15)35)20-18(33-38(10,11)23(5,6)7)24(16(25)14-36(29,30)34-24)17(32-20)13-31-37(8,9)22(2,3)4/h12,14,17-18,20H,13,25H2,1-11H3,(H,26,28,35)/t17-,18+,20-,24?/m1/s1
InChIKey
ZSQGCXGYLXSURF-CXFIUDIKSA-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-methyl-4-sulfanylidenepyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

605.20807 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.21535 229.0
[M+Na]+ 628.19729 234.8
[M-H]- 604.20079 234.0
[M+NH4]+ 623.24189 235.8
[M+K]+ 644.17123 234.5
[M+H-H2O]+ 588.20533 227.8
[M+HCOO]- 650.20627 229.0
[M+CH3COO]- 664.22192 250.5
[M+Na-2H]- 626.18274 233.8
[M]+ 605.20752 238.1
[M]- 605.20862 238.1
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.