CID 11203703

Methyl 2,3,4,6-tetra-o-benzyl-d-glucopyranoside

Structural Information

Molecular Formula
C35H38O6
SMILES
COC1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C35H38O6/c1-36-35-34(40-25-30-20-12-5-13-21-30)33(39-24-29-18-10-4-11-19-29)32(38-23-28-16-8-3-9-17-28)31(41-35)26-37-22-27-14-6-2-7-15-27/h2-21,31-35H,22-26H2,1H3/t31-,32-,33+,34-,35?/m1/s1
InChIKey
IXEBJCKOMVGYKP-BMURFIBDSA-N
Compound name
(3R,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

554.26685 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.27413 242.6
[M+Na]+ 577.25607 258.8
[M+NH4]+ 572.30067 249.2
[M+K]+ 593.23001 247.5
[M-H]- 553.25957 254.3
[M+Na-2H]- 575.24152 253.6
[M]+ 554.26630 248.6
[M]- 554.26740 248.6
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

patents stripe