CID 6476971

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

Structural Information

Molecular Formula
C29H49N3O10SSi2
SMILES
CCOC(=O)/C=C/C1=C(C2([C@H](O[C@H]([C@@H]2O[Si](C)(C)C(C)(C)C)N3C=C(C(=O)NC3=O)C)CO[Si](C)(C)C(C)(C)C)OS1(=O)=O)N
InChI
InChI=1S/C29H49N3O10SSi2/c1-13-38-21(33)15-14-19-22(30)29(42-43(19,36)37)20(17-39-44(9,10)27(3,4)5)40-25(23(29)41-45(11,12)28(6,7)8)32-16-18(2)24(34)31-26(32)35/h14-16,20,23,25H,13,17,30H2,1-12H3,(H,31,34,35)/b15-14+/t20-,23+,25-,29?/m1/s1
InChIKey
UUEKXKBLHRMILL-LKXRTRBDSA-N
Compound name
ethyl (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

687.2677 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 688.27498 245.1
[M+Na]+ 710.25692 248.9
[M-H]- 686.26042 250.6
[M+NH4]+ 705.30152 248.0
[M+K]+ 726.23086 251.3
[M+H-H2O]+ 670.26496 243.9
[M+HCOO]- 732.26590 247.7
[M+CH3COO]- 746.28155 267.7
[M+Na-2H]- 708.24237 229.7
[M]+ 687.26715 257.5
[M]- 687.26825 257.5
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.