CID 10370428

2-[9-[(2r,3r,4r,5r)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-6-oxo-purin-1-yl]acetic acid

Structural Information

Molecular Formula
C24H42N4O7Si2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN(C3=O)CC(=O)O)O[Si](C)(C)C(C)(C)C)O
InChI
InChI=1S/C24H42N4O7Si2/c1-23(2,3)36(7,8)33-12-15-18(31)19(35-37(9,10)24(4,5)6)22(34-15)28-14-25-17-20(28)26-13-27(21(17)32)11-16(29)30/h13-15,18-19,22,31H,11-12H2,1-10H3,(H,29,30)/t15-,18-,19-,22-/m1/s1
InChIKey
YJUBOFMBIROSNW-CIVUBGFFSA-N
Compound name
2-[9-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-6-oxopurin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

554.2592 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.26648 231.9
[M+Na]+ 577.24842 236.9
[M-H]- 553.25192 233.7
[M+NH4]+ 572.29302 235.1
[M+K]+ 593.22236 236.9
[M+H-H2O]+ 537.25646 226.2
[M+HCOO]- 599.25740 236.6
[M+CH3COO]- 613.27305 244.2
[M+Na-2H]- 575.23387 232.5
[M]+ 554.25865 240.5
[M]- 554.25975 240.5
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.