CID 475074

[1-[2',5'-bis[o-(tert-butyldimethylsilyl)]-.beta.-d-ribofuranosyl]-3-n-(6-bromohexyl)thymine]-3-spiro-5""-(4""-amino-1"",2""-oxathiole2"",2""-dioxide)

Structural Information

Molecular Formula
C30H54BrN3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCCBr)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C30H54BrN3O8SSi2/c1-21-18-34(27(36)33(25(21)35)17-15-13-12-14-16-31)26-24(41-45(10,11)29(5,6)7)30(22(32)20-43(37,38)42-30)23(40-26)19-39-44(8,9)28(2,3)4/h18,20,23-24,26H,12-17,19,32H2,1-11H3/t23-,24+,26-,30?/m1/s1
InChIKey
RHSFAYRLZPEESL-QKPOHADISA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3-(6-bromohexyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

751.23535 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 752.24263 248.1
[M+Na]+ 774.22457 255.2
[M-H]- 750.22807 256.7
[M+NH4]+ 769.26917 254.0
[M+K]+ 790.19851 248.4
[M+H-H2O]+ 734.23261 251.0
[M+HCOO]- 796.23355 250.8
[M+CH3COO]- 810.24920 272.7
[M+Na-2H]- 772.21002 252.4
[M]+ 751.23480 278.7
[M]- 751.23590 278.7
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.