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Basic Information
CAS No.: 3366-47-0
Name: 2,3,4,5-TETRA-O-ACETYL-1-DEOXY-D-ARABINO-HEX-1-ENOPYRANOSE,
Article Data: 8
Molecular Structure:
Molecular Structure of 3366-47-0 (2,3,4,5-TETRA-O-ACETYL-1-DEOXY-D-ARABINO-HEX-1-ENOPYRANOSE,)
Formula: C14H18O9
Molecular Weight: 330.292
Synonyms: D-arabino-Hex-1-enopyranose, 1-deoxy-, tetraacetate(7CI,8CI);Glucal, 2-hydroxy-, tetraacetate (6CI);2,3,4,6-Tetra-O-acetyl-1-deoxy-D-arabino-hex-1-enopyranose;2,3,4,6-Tetra-O-acetyl-2-hydroxy-D-glucal;2-Acetoxy-3,4,6-tri-O-acetyl-D-glucal;D-arabino-Hex-1-enitol,1,5-anhydro-, tetraacetate (9CI);2,3,4,6-Tetra-O-acetyl-1,5-anhydro-D-arabino-hex-1-enitol;
Density: 1.297 g/cm3
Melting Point: 60℃
Boiling Point: 375.777 °C at 760 mmHg
Flash Point: 162.657 °C
Appearance: White Solid
PSA: 114.43000
LogP: 0.21620
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Specification

The 2,3,4,6-Tetra-O-acetyl-1-deoxy-D-arabino-hex-1-enopyranose, with the CAS registry number 3366-47-0, is also known as 2-Acetoxy-3,4,6-tri-O-acetyl-D-glucal. It belongs to the product categories of Carbohydrates & Derivatives; Miscellaneous Reagents. This chemical's molecular formula is C14H18O9 and molecular weight is 330.29. What's more, its systematic name is 2,3,4,6-Tetra-O-acetyl-1,5-anhydro-D-arabino-hex-1-enitol.

Physical properties of 2,3,4,6-Tetra-O-acetyl-1-deoxy-D-arabino-hex-1-enopyranose are: (1)ACD/LogP: 0.318; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1.03; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 35.50; (8)ACD/KOC (pH 7.4): 35.50; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 114.43 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 73.609 cm3; (15)Molar Volume: 254.674 cm3; (16)Polarizability: 29.181×10-24cm3; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.297 g/cm3; (19)Flash Point: 162.657 °C; (20)Enthalpy of Vaporization: 62.334 kJ/mol; (21)Boiling Point: 375.777 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O\C1=C\O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)C
(2)Std. InChI: InChI=1S/C14H18O9/c1-7(15)19-5-11-13(22-9(3)17)14(23-10(4)18)12(6-20-11)21-8(2)16/h6,11,13-14H,5H2,1-4H3/t11-,13-,14-/m1/s1
(3)Std. InChIKey: CSRHQVSHQIAMPP-MRVWCRGKSA-N