CID 456090

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

Structural Information

Molecular Formula
C24H44N4O8SSi2
SMILES
CCOC(=O)C1=CN=NN1[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/C24H44N4O8SSi2/c1-12-32-21(29)16-13-26-27-28(16)20-19(35-39(10,11)23(5,6)7)24(17(25)15-37(30,31)36-24)18(34-20)14-33-38(8,9)22(2,3)4/h13,15,18-20H,12,14,25H2,1-11H3/t18-,19+,20-,24?/m1/s1
InChIKey
OBMAHKZOVYACBN-IRROGDNISA-N
Compound name
ethyl 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]triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

604.2418 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.24908 229.0
[M+Na]+ 627.23102 233.4
[M-H]- 603.23452 235.5
[M+NH4]+ 622.27562 236.5
[M+K]+ 643.20496 237.1
[M+H-H2O]+ 587.23906 228.5
[M+HCOO]- 649.24000 234.0
[M+CH3COO]- 663.25565 251.5
[M+Na-2H]- 625.21647 232.9
[M]+ 604.24125 241.0
[M]- 604.24235 241.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.