chempirical

3,4,6-Tri-O-benzyl-D-glucal

C27H28O4CAS 55628-54-1416.52 g/mol

Open in Covalent MOL file
OOOO
AlkeneEther

Properties

Molecular formula
C27H28O4
Molar mass
416.52 g/mol
Exact mass
416.1988 Da
logP
5.29Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
10
Stereocentres
R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
55628-54-1
SMILES
C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H](C=CO2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChIKey
MXYLLYBWXIUMIT-PFBJBMPXSA-N
InChI
InChI=1S/C27H28O4/c1-4-10-22(11-5-1)18-28-21-26-27(31-20-24-14-8-3-9-15-24)25(16-17-29-26)30-19-23-12-6-2-7-13-23/h1-17,25-27H,18-21H2/t25-,26-,27+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Tri-O-benzyl-D-glucal

Work with 3,4,6-Tri-O-benzyl-D-glucal

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,5-Tri-O-benzyl-beta-D-arabinofuranose60933-68-851 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose4132-28-950 % similar 2,3,5-Tris-O-(phenylmethyl)-D-ribose54623-25-550 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose6386-24-950 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-α-D-glucopyranose6564-72-350 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactose53081-25-749 % similar Methyl 2,3,4,6-tetra-O-benzyl-α-D-galactopyranoside53008-63-248 % similar 2,3,5-Tri-O-benzyl-D-ribonolactone55094-52-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook