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1,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranose

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Name

1,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranose

EINECS 209-339-0
CAS No. 4292-12-0 Density 1.49g/cm3
PSA 134.66000 LogP -0.93820
Solubility N/A Melting Point N/A
Formula C14H20O10 Boiling Point 425.537 °C at 760 mmHg
Molecular Weight 348.30 Flash Point 148.725 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4292-12-0 (1,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranose) Hazard Symbols N/A
Synonyms

1,3,4,6-Tetra-O-acetyl-α-D-glucopyranose;α-D-glucopyranose, 1,3,4,6-tetraacetate;

 

1,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranose Specification

The 1,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranose, with cas registry number 4292-12-0, has the systematic name of 1,3,4,6-tetra-O-acetyl-α-D-glucopyranose. Besides this, it is also called α-D-glucopyranose, 1,3,4,6-tetraacetate.

Physical properties about this chemical are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25; (8)ACD/KOC (pH 7.4): 25; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 134.66 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 75.418 cm3; (15)Molar Volume: 260.069 cm3; (16)Polarizability: 29.898×10-24cm3; (17)Surface Tension: 49.682 dyne/cm; (18)Enthalpy of Vaporization: 78.551 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(C)O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O
(2)InChI: InChI=1/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1
(3)InChIKey: SHBHJRVMGYVXKK-KSTCHIGDBN
(4)Std. InChI: InChI=1S/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1
(5)Std. InChIKey: SHBHJRVMGYVXKK-KSTCHIGDSA-N

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