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| CAS No.: | 3947-62-4 |
|---|---|
| Name: | 2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSE |
| Molecular Structure: | |
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| Formula: | C14H20O10 |
| Molecular Weight: | 348.307 |
| Synonyms: | Glucopyranose,2,3,4,6-tetraacetate (7CI);Glucopyranose, 2,3,4,6-tetraacetate, b-D- (8CI);2,3,4,6-Tetra-O-acetyl-b-D-glucopyranose;Acetic acid(2R,3R,4S,5R,6R)-4,5-diacetoxy-6-(acetoxymethyl)-2-hydroxytetrahydropyran-3-ylester;b-D-Glucose 2,3,4,6-tetraacetate; |
| Density: | 1.33 g/cm3 |
| Melting Point: | 118-128 °C |
| Boiling Point: | 425 °C at 760 mmHg |
| Flash Point: | 148.5 °C |
| PSA: | 134.66000 |
| LogP: | -0.93820 |
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Specification
The β-D-Glucopyranose,2,3,4,6-tetraacetate, with CAS registry number 3947-62-4, belongs to the following product categories: (1)13C & 2H Sugars; (2)Carbohydrates. It has the systematic name of 2,3,4,6-tetra-O-acetyl-β-D-glucopyranose. And the chemical formula of this chemical is C14H20O10.
Physical properties of β-D-Glucopyranose,2,3,4,6-tetraacetate: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.14; (6)ACD/BCF (pH 7.4): 1.14; (7)ACD/KOC (pH 5.5): 38.22; (8)ACD/KOC (pH 7.4): 38.22; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 123.66 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 75.41 cm3; (15)Molar Volume: 260 cm3; (16)Polarizability: 29.89×10-24cm3; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 148.5 °C; (20)Enthalpy of Vaporization: 78.48 kJ/mol; (21)Boiling Point: 425 °C at 760 mmHg; (22)Vapour Pressure: 5.29E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
(2)InChI: InChI=1/C14H20O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11-,12+,13-,14-/m1/s1
(3)InChIKey: IEOLRPPTIGNUNP-RKQHYHRCBS
(4)Std. InChI: InChI=1S/C14H20O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11-,12+,13-,14-/m1/s1
(5)Std. InChIKey: IEOLRPPTIGNUNP-RKQHYHRCSA-N