CID 486214

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

Structural Information

Molecular Formula
C24H45N3O7SSi2
SMILES
CC1=CN(C(=O)NC1)[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/C24H45N3O7SSi2/c1-16-12-26-21(28)27(13-16)20-19(33-37(10,11)23(5,6)7)24(17(25)15-35(29,30)34-24)18(32-20)14-31-36(8,9)22(2,3)4/h13,15,18-20H,12,14,25H2,1-11H3,(H,26,28)/t18-,19+,20-,24?/m1/s1
InChIKey
PMPCTHBGNYEUCS-IRROGDNISA-N
Compound name
3-[(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]-5-methyl-1,6-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

575.25165 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.25893 224.4
[M+Na]+ 598.24087 228.3
[M-H]- 574.24437 229.3
[M+NH4]+ 593.28547 231.9
[M+K]+ 614.21481 229.7
[M+H-H2O]+ 558.24891 222.8
[M+HCOO]- 620.24985 226.0
[M+CH3COO]- 634.26550 247.4
[M+Na-2H]- 596.22632 228.1
[M]+ 575.25110 230.6
[M]- 575.25220 230.6
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.