CID 461144

[1-[5'-o-benzyl-2'-o-(tertbutylmethylsilyl)-.beta.-d-ribofuranosyl]thymine]-3'-spiro-5""""""""-(4""""""""-amino-1"""""""",2""""""""-oxathiole-2"""""""",2""""""""-dioxide)

Structural Information

Molecular Formula
C25H35N3O8SSi
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)COCC4=CC=CC=C4)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H35N3O8SSi/c1-16-12-28(23(30)27-21(16)29)22-20(35-38(5,6)24(2,3)4)25(18(26)15-37(31,32)36-25)19(34-22)14-33-13-17-10-8-7-9-11-17/h7-12,15,19-20,22H,13-14,26H2,1-6H3,(H,27,29,30)/t19-,20+,22-,25?/m1/s1
InChIKey
WBTGMKBVOCZADL-HBXKPKIUSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dioxo-6-(phenylmethoxymethyl)-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

565.1914 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.19868 225.6
[M+Na]+ 588.18062 233.3
[M-H]- 564.18412 235.5
[M+NH4]+ 583.22522 232.5
[M+K]+ 604.15456 232.8
[M+H-H2O]+ 548.18866 220.7
[M+HCOO]- 610.18960 234.6
[M+CH3COO]- 624.20525 245.8
[M+Na-2H]- 586.16607 227.4
[M]+ 565.19085 234.3
[M]- 565.19195 234.3
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.