CID 461140

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

Structural Information

Molecular Formula
C27H49N3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[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(C)C
InChI
InChI=1S/C27H49N3O8SSi2/c1-17(2)26(7,8)41(12,13)37-21-23(30-14-18(3)22(31)29(9)24(30)32)36-20(15-35-40(10,11)25(4,5)6)27(21)19(28)16-39(33,34)38-27/h14,16-17,20-21,23H,15,28H2,1-13H3/t20-,21+,23-,27?/m1/s1
InChIKey
KFEVFNRCNPDSBV-HEXPWKSXSA-N
Compound name
1-[(6R,8R,9R)-4-amino-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-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

631.2779 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.28518 232.9
[M+Na]+ 654.26712 238.6
[M-H]- 630.27062 240.3
[M+NH4]+ 649.31172 239.2
[M+K]+ 670.24106 241.1
[M+H-H2O]+ 614.27516 231.5
[M+HCOO]- 676.27610 237.0
[M+CH3COO]- 690.29175 262.7
[M+Na-2H]- 652.25257 236.6
[M]+ 631.27735 245.4
[M]- 631.27845 245.4
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.