CID 477184

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

Structural Information

Molecular Formula
C31H56N4O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCOC(=O)[C@H](C(C)C)N)[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/C31H56N4O10SSi2/c1-19(2)23(33)27(37)41-15-14-34-25(36)20(3)16-35(28(34)38)26-24(44-48(12,13)30(7,8)9)31(21(32)18-46(39,40)45-31)22(43-26)17-42-47(10,11)29(4,5)6/h16,18-19,22-24,26H,14-15,17,32-33H2,1-13H3/t22-,23+,24+,26-,31?/m1/s1
InChIKey
GDPINUBYFIRJEH-GOJWXQOJSA-N
Compound name
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]ethyl (2S)-2-amino-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

732.32556 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.33284 226.1
[M+Na]+ 755.31478 234.5
[M-H]- 731.31828 227.8
[M+NH4]+ 750.35938 230.0
[M+K]+ 771.28872 224.3
[M+H-H2O]+ 715.32282 213.8
[M+HCOO]- 777.32376 231.9
[M+CH3COO]- 791.33941 282.7
[M+Na-2H]- 753.30023 243.4
[M]+ 732.32501 245.0
[M]- 732.32611 245.0
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.