CID 461129

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

Structural Information

Molecular Formula
C44H51N3O8SSi2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C
InChI
InChI=1S/C44H51N3O8SSi2/c1-31-28-47(41(49)46-39(31)48)40-38(54-58(43(5,6)7,34-24-16-10-17-25-34)35-26-18-11-19-27-35)44(36(45)30-56(50,51)55-44)37(53-40)29-52-57(42(2,3)4,32-20-12-8-13-21-32)33-22-14-9-15-23-33/h8-28,30,37-38,40H,29,45H2,1-7H3,(H,46,48,49)/t37-,38+,40-,44?/m1/s1
InChIKey
LHFRNAUXRCIKRB-AHUDHWMLSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(diphenyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

837.2935 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 838.30078 279.3
[M+Na]+ 860.28272 281.3
[M-H]- 836.28622 295.9
[M+NH4]+ 855.32732 273.7
[M+K]+ 876.25666 282.5
[M+H-H2O]+ 820.29076 269.3
[M+HCOO]- 882.29170 282.0
[M+CH3COO]- 896.30735 288.8
[M+Na-2H]- 858.26817 282.5
[M]+ 837.29295 284.1
[M]- 837.29405 284.1
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.