CID 493602

(3""r)-1-[2',5'-bis(o-tert-butyldimethylsiyl)-3-deoxy-.beta.-d-xylofuranosyl]thymine-3'-spiro-2""-(2""-methoxycarbonyloxirane)

Structural Information

Molecular Formula
C25H46N2O8Si2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)[C@@H](O3)C(O)OC)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H46N2O8Si2/c1-15-13-27(22(30)26-19(15)28)20-17(35-37(11,12)24(5,6)7)25(18(34-25)21(29)31-8)16(33-20)14-32-36(9,10)23(2,3)4/h13,16-18,20-21,29H,14H2,1-12H3,(H,26,28,30)/t16-,17+,18+,20-,21?,25?/m1/s1
InChIKey
GDCSVLBCHWEJBI-CVSFYBBFSA-N
Compound name
1-[(2R,4R,5R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[hydroxy(methoxy)methyl]-1,6-dioxaspiro[2.4]heptan-5-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

558.2793 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.28658 224.4
[M+Na]+ 581.26852 230.5
[M-H]- 557.27202 229.8
[M+NH4]+ 576.31312 224.4
[M+K]+ 597.24246 230.9
[M+H-H2O]+ 541.27656 220.7
[M+HCOO]- 603.27750 228.7
[M+CH3COO]- 617.29315 246.2
[M+Na-2H]- 579.25397 227.4
[M]+ 558.27875 236.5
[M]- 558.27985 236.5
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.