CID 461131

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

Structural Information

Molecular Formula
C35H49N3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[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](C)(C)C(C)(C)C
InChI
InChI=1S/C35H49N3O8SSi2/c1-24-21-38(32(40)37(8)30(24)39)31-29(45-48(9,10)33(2,3)4)35(27(36)23-47(41,42)46-35)28(44-31)22-43-49(34(5,6)7,25-17-13-11-14-18-25)26-19-15-12-16-20-26/h11-21,23,28-29,31H,22,36H2,1-10H3/t28-,29+,31-,35?/m1/s1
InChIKey
YZOPFXCJTYEHJW-ANGUOSBQSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]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

727.2779 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 728.28518 261.0
[M+Na]+ 750.26712 266.0
[M-H]- 726.27062 274.3
[M+NH4]+ 745.31172 262.2
[M+K]+ 766.24106 267.6
[M+H-H2O]+ 710.27516 254.9
[M+HCOO]- 772.27610 265.8
[M+CH3COO]- 786.29175 276.0
[M+Na-2H]- 748.25257 264.4
[M]+ 727.27735 271.1
[M]- 727.27845 271.1
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.