CAS 13100-46-4 | β-D-Glucopyranose, 1,2,3,4-tetraacetate | CAS Number 13100-46-4

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13100-46-4 | β-D-Glucopyranose, 1,2,3,4-tetraacetate

CAS No: 13100-46-4 Catalog No: AG000VC2 MDL No:MFCD00063260

Product Description

Catalog Number:

AG000VC2

Chemical Name:

β-D-Glucopyranose, 1,2,3,4-tetraacetate

CAS Number:

13100-46-4

Molecular Formula:

C14H20O10

Molecular Weight:

348.3026

MDL Number:

MFCD00063260

IUPAC Name:

[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(hydroxymethyl)oxan-3-yl] acetate

InChI:

InChI=1S/C14H20O10/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-15H,5H2,1-4H3/t10-,11-,12+,13-,14-/m1/s1

InChI Key:

FEQXFAYSNRWXDW-RKQHYHRCSA-N

SMILES:

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

EC Number:

236-018-2

Properties

Complexity:

502

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

348.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

348.304g/mol

Monoisotopic Mass:

348.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

135A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

Literature

Title	Journal
Conformations of methyl 2,5-di-O-acetyl-beta-D-glucofuranosidurono-6,3-lactone and 1,2,5-tri-O-acetyl-beta-D-glucofuranurono-6,3-lactone in the crystal structure and in solution.	Carbohydrate research 20060925
1,2,3,4-Tetra-O-acetyl-beta-D-glucopyranuronic acid monohydrate at 120 K and anhydrous 1,2,3,4-tetra-O-acetyl-beta-D-glucopyranose at 292 K.	Acta crystallographica. Section C, Crystal structure communications 20051201
Induction of protection against the necrotrophic pathogens Phytophthora citrophthora and Alternaria solani in Lycopersicon esculentum Mill. by a novel synthetic glycoside combined with amines.	Planta 20030401
Crystal structure of methyl 1,2,3,4-tetra-O-acetyl-beta-D-glucopyranuronate.	Carbohydrate research 20021119
Effect of a novel chemical mixture on senescence processes and plant--fungus interaction in Solanaceae plants.	Journal of agricultural and food chemistry 20010501