chempirical

(2R,3S,4S,5R)-2,3,4,6-Tetrakis(benzyloxy)-5-hydroxyhexanal

C34H36O6CAS 53081-25-7540.66 g/mol

Open in Covalent MOL file
OOOOOHO
AlcoholAldehydeEther

Properties

Molecular formula
C34H36O6
Molar mass
540.66 g/mol
Exact mass
540.2512 Da
logP
5.52Crippen estimate
Polar surface area
74.2 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
17
Stereocentres
R, S, 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
53081-25-7
SMILES
O=C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIKey
OUHUDRYCYOSXDI-ALMGMPQLSA-N
InChI
InChI=1S/C34H36O6/c35-21-32(38-23-28-15-7-2-8-16-28)34(40-25-30-19-11-4-12-20-30)33(39-24-29-17-9-3-10-18-29)31(36)26-37-22-27-13-5-1-6-14-27/h1-21,31-34,36H,22-26H2/t31-,32+,33+,34-/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactose
  • D-Galactose, 2,3,4,6-tetrakis-O-(phenylmethyl)-
  • 2,3,4,6-Tetra-O-benzyl-D-galactose
  • 2,3,4,6-Tetra-O-benzyl-D-galactopyranose

Work with (2R,3S,4S,5R)-2,3,4,6-Tetrakis(benzyloxy)-5-hydroxyhexanal

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-Tris-O-(phenylmethyl)-D-ribose54623-25-592 % similar (-)-1,4-Di-O-benzyl-L-threitol17401-06-856 % similar (+)-1,4-Di-O-benzyl-D-threitol91604-41-056 % similar 3,4,6-Tri-O-benzyl-D-glucal55628-54-149 % similar 2,3,5-Tri-O-benzyl-beta-D-arabinofuranose60933-68-848 % similar (1S,2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene110567-21-046 % similar (1R,2S)-2-[(Phenylmethoxy)methyl]-3-cyclopenten-1-ol188399-48-646 % similar 1,3-Bis(phenylmethoxy)-2-propanol6972-79-845 % similar

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

Same formula

2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose4132-28-9 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose6386-24-9 2,3,4,6-Tetrakis-O-(phenylmethyl)-α-D-glucopyranose6564-72-3

Elsewhere

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