CID 493794

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

Structural Information

Molecular Formula
C29H47N3O8S2Si2
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(=C(S(=O)(=O)O3)C4=CSC=C4)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C29H47N3O8S2Si2/c1-18-15-32(26(34)31(8)24(18)33)25-23(39-44(11,12)28(5,6)7)29(20(38-25)16-37-43(9,10)27(2,3)4)22(30)21(42(35,36)40-29)19-13-14-41-17-19/h13-15,17,20,23,25H,16,30H2,1-12H3/t20-,23+,25-,29?/m1/s1
InChIKey
LGOFNBHNMDWVIU-GHPLUZHZSA-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-thiophen-3-yl-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

685.2343 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 686.24158 246.1
[M+Na]+ 708.22352 252.4
[M-H]- 684.22702 256.6
[M+NH4]+ 703.26812 252.4
[M+K]+ 724.19746 254.0
[M+H-H2O]+ 668.23156 246.5
[M+HCOO]- 730.23250 248.7
[M+CH3COO]- 744.24815 266.7
[M+Na-2H]- 706.20897 249.6
[M]+ 685.23375 259.5
[M]- 685.23485 259.5
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.