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

C₂₁H₂₆O₁₁CAS 14581-81-8454.43 g/mol

Open in Covalent MOL file

Acetal Ester Ether

Properties

Molecular formula: C₂₁H₂₆O₁₁
Molar mass: 454.43 g/mol
Exact mass: 454.1475 Da
logP: 1.16Crippen estimate
Polar surface area: 132.9 Å²
H-bond donors / acceptors: 0 / 11
Rotatable bonds: 8
Stereocentres: R, R, S, R, Sin SMILES atom order

Identifiers

CAS number

14581-81-8

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-YMQHIKHWSA-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

4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-b-D-glucopyranoside

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

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

Penta-O-acetyl-α-D-galactopyranose4163-59-164 % similar β-D-Galactose pentaacetate4163-60-464 % similar α-D-Mannose pentaacetate4163-65-964 % similar Penta-O-acetyl-α-D-glucopyranose604-68-264 % similar β-D-Glucose pentaacetate604-69-364 % similar Glucose pentaacetate83-87-464 % similar Octaacetyl-β-maltose22352-19-860 % similar α-D-Cellobiose octaacetate5346-90-760 % similar

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

Same formula

Acetagastrodine64291-41-4

Elsewhere

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