CID 461134

[1-[2'-o-(tert-butyldimethylsilyl)-5'-o-(tert-butylmethoxyphenylsilyl)-.beta.-d-ribofuranosyl]-3-methylthymine]-3'-spiro-5""""""""-(4""""""""-amino-1"""""""",2""""""""-oxathiole-2"""""""",2""""""""-dioxide)

Structural Information

Molecular Formula
C30H47N3O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C4=CC=CC=C4)(C(C)(C)C)OC)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C30H47N3O9SSi2/c1-20-17-33(27(35)32(8)25(20)34)26-24(41-44(10,11)28(2,3)4)30(22(31)19-43(36,37)42-30)23(40-26)18-39-45(38-9,29(5,6)7)21-15-13-12-14-16-21/h12-17,19,23-24,26H,18,31H2,1-11H3/t23-,24+,26-,30?,45?/m1/s1
InChIKey
XQEJJFWQGAFGAQ-JKQHHPEASA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[(tert-butyl-methoxy-phenylsilyl)oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

681.25714 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 682.26442 247.4
[M+Na]+ 704.24636 252.9
[M-H]- 680.24986 258.0
[M+NH4]+ 699.29096 251.0
[M+K]+ 720.22030 255.6
[M+H-H2O]+ 664.25440 243.6
[M+HCOO]- 726.25534 252.9
[M+CH3COO]- 740.27099 268.3
[M+Na-2H]- 702.23181 252.4
[M]+ 681.25659 260.1
[M]- 681.25769 260.1
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.