CID 6476973

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

Structural Information

Molecular Formula
C29H49N3O10SSi2
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)/C=C/C(=O)OC)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C29H49N3O10SSi2/c1-18-16-32(26(35)31(8)24(18)34)25-23(41-45(12,13)28(5,6)7)29(20(40-25)17-39-44(10,11)27(2,3)4)22(30)19(43(36,37)42-29)14-15-21(33)38-9/h14-16,20,23,25H,17,30H2,1-13H3/b15-14+/t20-,23+,25-,29?/m1/s1
InChIKey
BSUSHOQQCFXHCW-LKXRTRBDSA-N
Compound name
methyl (E)-3-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-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 242.9
[M+Na]+ 710.25692 247.9
[M-H]- 686.26042 250.1
[M+NH4]+ 705.30152 246.8
[M+K]+ 726.23086 251.0
[M+H-H2O]+ 670.26496 241.9
[M+HCOO]- 732.26590 246.9
[M+CH3COO]- 746.28155 270.9
[M+Na-2H]- 708.24237 247.1
[M]+ 687.26715 257.4
[M]- 687.26825 257.4
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.