CID 493778

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

Structural Information

Molecular Formula
C26H47N3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=C(S(=O)(=O)O3)C)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H47N3O8SSi2/c1-16-14-29(23(31)28(9)21(16)30)22-20(36-40(12,13)25(6,7)8)26(19(27)17(2)38(32,33)37-26)18(35-22)15-34-39(10,11)24(3,4)5/h14,18,20,22H,15,27H2,1-13H3/t18-,20+,22-,26?/m1/s1
InChIKey
YKSJMIOEHSPSBW-SKAUXQOCSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

617.26227 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.26955 230.4
[M+Na]+ 640.25149 237.6
[M-H]- 616.25499 238.2
[M+NH4]+ 635.29609 237.6
[M+K]+ 656.22543 239.6
[M+H-H2O]+ 600.25953 229.1
[M+HCOO]- 662.26047 235.6
[M+CH3COO]- 676.27612 259.9
[M+Na-2H]- 638.23694 234.6
[M]+ 617.26172 243.4
[M]- 617.26282 243.4
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.