Methyl 1,2,3,4-tetra-O-acetyl-β-D-glucopyranuronate

C₁₅H₂₀O₁₁CAS 7355-18-2376.31 g/mol

Open in Covalent MOL file

Acetal Ester Ether

Properties

Molecular formula: C₁₅H₂₀O₁₁
Molar mass: 376.31 g/mol
Exact mass: 376.1006 Da
Melting point: 178 °C
logP: -0.76Crippen estimate
Polar surface area: 140.7 Å²
H-bond donors / acceptors: 0 / 11
Rotatable bonds: 5
Stereocentres: S, S, R, S, Sin SMILES atom order

Identifiers

CAS number

7355-18-2

SMILES

COC(=O)[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

InChIKey

DPOQCELSZBSZGX-XOBFJNJYSA-N

InChI

InChI=1S/C15H20O11/c1-6(16)22-10-11(23-7(2)17)13(24-8(3)18)15(25-9(4)19)26-12(10)14(20)21-5/h10-13,15H,1-5H3/t10-,11-,12-,13+,15+/m0/s1

Weigh it out

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

Names and synonyms

7 names

β-D-Glucopyranuronic acid, methyl ester, 1,2,3,4-tetraacetate
Glucopyranuronic acid, methyl ester, tetraacetate, β-D-
β-D-Glucopyranuronic acid, methyl ester, tetraacetate
Methyl tetra-O-acetyl-β-D-glucopyranuronate
1,2,3,4-Tetra-O-acetyl-β-D-glucopyranuronic acid methyl ester
NSC 16925
NSC 82042

Work with Methyl 1,2,3,4-tetra-O-acetyl-β-D-glucopyranuronate

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

Acetobromo-α-D-glucuronic acid methyl ester21085-72-370 % similar 1,2,3-Tri-O-acetyl-5-deoxy-β-D-ribofuranose62211-93-251 % similar 1,2,3,4-Tetra-O-acetyl-β-D-glucopyranose13100-46-449 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-149 % similar β-D-Galactose pentaacetate4163-60-449 % similar α-D-Mannose pentaacetate4163-65-949 % similar Penta-O-acetyl-α-D-glucopyranose604-68-249 % similar β-D-Glucose pentaacetate604-69-349 % similar

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

Elsewhere

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