PubChemLite - Methyl 2,3,4,6-tetra-o-benzyl-d-glucopyranoside (C35H38O6)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	555.27413	239.6
[M+Na]+	577.25607	239.7
[M-H]-	553.25957	252.7
[M+NH4]+	572.30067	240.1
[M+K]+	593.23001	236.4
[M+H-H2O]+	537.26411	224.0
[M+HCOO]-	599.26505	255.1
[M+CH3COO]-	613.28070	249.5
[M+Na-2H]-	575.24152	237.8
[M]+	554.26630	242.3
[M]-	554.26740	242.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

555.27413

239.6

[M+Na]+

577.25607

239.7

[M-H]-

553.25957

252.7

[M+NH4]+

572.30067

240.1

[M+K]+

593.23001

236.4

[M+H-H2O]+

537.26411

224.0

[M+HCOO]-

599.26505

255.1

[M+CH3COO]-

613.28070

249.5

[M+Na-2H]-

575.24152

237.8

[M]+

554.26630

242.3

[M]-

554.26740

242.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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