4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranoside

C21H26O11CAS 2872-65-3454.43 g/mol

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AcetalEsterEther

Properties

Molecular formula
C21H26O11
Molar mass
454.43 g/mol
Exact mass
454.1475 Da
logP
1.16Crippen estimate
Polar surface area
132.9 Ų
H-bond donors / acceptors
0 / 11
Rotatable bonds
8
Stereocentres
R, S, S, R, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
2872-65-3
SMILES
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChIKey
RPHXBVOPPUTUES-XDWAVFMPSA-N
InChI
InChI=1S/C21H26O11/c1-11(22)27-10-17-18(28-12(2)23)19(29-13(3)24)20(30-14(4)25)21(32-17)31-16-8-6-15(26-5)7-9-16/h6-9,17-21H,10H2,1-5H3/t17-,18+,19+,20-,21-/m1/s1

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Names and synonyms

1 names
  • (2R,3S,4S,5R,6S)-2-(Acetoxymethyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Work with 4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranoside

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyanoside14581-81-8Diastereomer

Similar compounds

((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-864 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-164 % similar β-D-Galactose pentaacetate4163-60-464 % similar α-D-Mannose pentaacetate4163-65-964 % similar Alpha-D-glucose pentaacetate604-68-264 % similar Beta-D-Glucose pentaacetate604-69-364 % similar Glucose pentaacetate83-87-464 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetagastrodine64291-41-4

Elsewhere

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