CID 6476970

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

Structural Information

Molecular Formula
C28H47N3O10SSi2
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)/C=C/C(=O)OC)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H47N3O10SSi2/c1-17-15-31(25(34)30-23(17)33)24-22(40-44(11,12)27(5,6)7)28(19(39-24)16-38-43(9,10)26(2,3)4)21(29)18(42(35,36)41-28)13-14-20(32)37-8/h13-15,19,22,24H,16,29H2,1-12H3,(H,30,33,34)/b14-13+/t19-,22+,24-,28?/m1/s1
InChIKey
XUMUOCKGHSNBLH-KOOQJKCGSA-N
Compound name
methyl (E)-3-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-3-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

673.2521 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 674.25938 241.2
[M+Na]+ 696.24132 245.5
[M-H]- 672.24482 247.0
[M+NH4]+ 691.28592 244.7
[M+K]+ 712.21526 248.0
[M+H-H2O]+ 656.24936 240.2
[M+HCOO]- 718.25030 244.1
[M+CH3COO]- 732.26595 265.0
[M+Na-2H]- 694.22677 226.8
[M]+ 673.25155 253.4
[M]- 673.25265 253.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.