CID 477174

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

Structural Information

Molecular Formula
C30H52N4O11SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)N[C@@H](C)C(=O)OC)[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/C30H52N4O11SSi2/c1-18-14-34(27(38)33(24(18)36)15-22(35)32-19(2)26(37)41-9)25-23(44-48(12,13)29(6,7)8)30(20(31)17-46(39,40)45-30)21(43-25)16-42-47(10,11)28(3,4)5/h14,17,19,21,23,25H,15-16,31H2,1-13H3,(H,32,35)/t19-,21+,23-,25+,30?/m0/s1
InChIKey
PMZPZAULQUNSSH-OMVADEDISA-N
Compound name
methyl (2S)-2-[[2-[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]-5-methyl-2,6-dioxopyrimidin-1-yl]acetyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

732.2892 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.29648 222.0
[M+Na]+ 755.27842 230.0
[M-H]- 731.28192 223.8
[M+NH4]+ 750.32302 225.7
[M+K]+ 771.25236 219.6
[M+H-H2O]+ 715.28646 209.9
[M+HCOO]- 777.28740 227.8
[M+CH3COO]- 791.30305 281.3
[M+Na-2H]- 753.26387 239.1
[M]+ 732.28865 239.8
[M]- 732.28975 239.8
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.