CID 493790

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

Structural Information

Molecular Formula
C30H47N3O8SSi2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=C(S(=O)(=O)O3)C4=CC=CC=C4)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C30H47N3O8SSi2/c1-19-17-33(27(35)32-25(19)34)26-24(40-44(10,11)29(5,6)7)30(21(39-26)18-38-43(8,9)28(2,3)4)23(31)22(42(36,37)41-30)20-15-13-12-14-16-20/h12-17,21,24,26H,18,31H2,1-11H3,(H,32,34,35)/t21-,24+,26-,30?/m1/s1
InChIKey
UDGSGDOQYSIASD-RPKNFYGRSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-3-phenyl-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

665.26227 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 666.26955 245.7
[M+Na]+ 688.25149 251.2
[M-H]- 664.25499 255.0
[M+NH4]+ 683.29609 249.4
[M+K]+ 704.22543 252.3
[M+H-H2O]+ 648.25953 242.1
[M+HCOO]- 710.26047 249.5
[M+CH3COO]- 724.27612 264.3
[M+Na-2H]- 686.23694 249.6
[M]+ 665.26172 255.4
[M]- 665.26282 255.4
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.