CID 165366570

D-ribo-hexose, 3-deoxy-6-o-[(1,1-dimethylethyl)diphenylsilyl]-5-c-methyl-2-o-methyl-4-o-(phenylmethyl)-, cyclic 1,2-ethanediyl dithioacetal

Structural Information

Molecular Formula
C33H44O4S2Si
SMILES
C[C@@](CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)([C@H](C[C@H](C3SCCS3)OC)OCC4=CC=CC=C4)O
InChI
InChI=1S/C33H44O4S2Si/c1-32(2,3)40(27-17-11-7-12-18-27,28-19-13-8-14-20-28)37-25-33(4,34)30(36-24-26-15-9-6-10-16-26)23-29(35-5)31-38-21-22-39-31/h6-20,29-31,34H,21-25H2,1-5H3/t29-,30+,33-/m1/s1
InChIKey
OYORTNUWHRKEKY-YLJHYDRVSA-N
Compound name
(2R,3S,5R)-1-[tert-butyl(diphenyl)silyl]oxy-5-(1,3-dithiolan-2-yl)-5-methoxy-2-methyl-3-phenylmethoxypentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.24506 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.25234 241.8
[M+Na]+ 619.23428 239.9
[M-H]- 595.23778 249.4
[M+NH4]+ 614.27888 245.7
[M+K]+ 635.20822 235.2
[M+H-H2O]+ 579.24232 233.0
[M+HCOO]- 641.24326 243.5
[M+CH3COO]- 655.25891 247.5
[M+Na-2H]- 617.21973 239.8
[M]+ 596.24451 244.7
[M]- 596.24561 244.7
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.