CID 456079

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

Structural Information

Molecular Formula
C23H42N4O8SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=C(N=N3)C(=O)OC)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C23H42N4O8SSi2/c1-21(2,3)37(8,9)32-13-17-23(16(24)14-36(29,30)35-23)18(34-38(10,11)22(4,5)6)19(33-17)27-12-15(25-26-27)20(28)31-7/h12,14,17-19H,13,24H2,1-11H3/t17-,18+,19-,23?/m1/s1
InChIKey
UYTOUPHBJHEAOP-JWVMWFJOSA-N
Compound name
methyl 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]triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

590.2262 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.23348 225.1
[M+Na]+ 613.21542 229.9
[M-H]- 589.21892 231.8
[M+NH4]+ 608.26002 233.1
[M+K]+ 629.18936 233.8
[M+H-H2O]+ 573.22346 224.7
[M+HCOO]- 635.22440 230.4
[M+CH3COO]- 649.24005 248.8
[M+Na-2H]- 611.20087 229.3
[M]+ 590.22565 236.8
[M]- 590.22675 236.8
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.