CID 461141

[1-[2'-o-(tri-isopropylsilyl)-5'-o-(tert-butyldimethylsilyl)-.beta.-d-ribofuranosyl]-3-methylthymine]-3'-spiro-5""""""""-(4""""""""-amino-1"""""""",2""""""""-oxathiole-2"""""""",2""""""""-dioxide)

Structural Information

Molecular Formula
C31H57N3O8SSi2
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(=CS(=O)(=O)O3)N)O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C31H57N3O8SSi2/c1-20-17-34(26(36)33(14)24(20)35)25-23(41-45(28(5,6)7,29(8,9)10)30(11,12)13)31(21(32)19-43(37,38)42-31)22(40-25)18-39-44(15,16)27(2,3)4/h17,19,22-23,25H,18,32H2,1-16H3/t22-,23+,25-,31?/m1/s1
InChIKey
FGXYDKVIVJLQBA-MMKNTUCFSA-N
Compound name
1-[(6R,8R,9R)-4-amino-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-9-tritert-butylsilyloxy-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

687.3405 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 688.34778 242.4
[M+Na]+ 710.32972 246.8
[M-H]- 686.33322 249.4
[M+NH4]+ 705.37432 246.8
[M+K]+ 726.30366 250.5
[M+H-H2O]+ 670.33776 242.1
[M+HCOO]- 732.33870 243.5
[M+CH3COO]- 746.35435 271.4
[M+Na-2H]- 708.31517 250.9
[M]+ 687.33995 255.1
[M]- 687.34105 255.1
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.