Name: 1,3,4,6-Tetra-O-acetyl-2-(acetylamino)-2-deoxyhexopyranose
SKU: 6730-10-5

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Basic Information

Molecular Structure:
CAS No.:	6730-10-5
Name:	1,3,4,6-Tetra-O-acetyl-2-(acetylamino)-2-deoxyhexopyranose

Formula:	C₁₆H₂₃NO₁₀
Molecular Weight:	389.359
Synonyms:	Mannopyranose,2-acetamido-2-deoxy-, 1,3,4,6-tetraacetate, β-D- (8CI);1,3,4,6-Tetra-O-acetyl-2-acetamido-2-deoxy-β-D-mannopyranose;NSC 232059;
Density:	1.3 g/cm³
Boiling Point:	530.2 °C at 760 mmHg
Flash Point:	274.4 °C

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Specification

The 1, 3, 4, 6-Tetra-O-acetyl-2-(acetylamino)-2-deoxyhexopyranose, with the CAS registry number 6730-10-5, is also known as β-D-Mannopyranose, 2-(acetylamino)-2-deoxy-, 1, 3, 4, 6-tetraacetate. This chemical's molecular formula is C₁₆H₂₃NO₁₀ and molecular weight is 389.3545. What's more, its IUPAC name is (5-Acetamido-3, 4, 6-triacetyloxyoxan-2-yl)methyl acetate.

Physical properties about 1, 3, 4, 6-Tetra-O-acetyl-2-(acetylamino)-2-deoxyhexopyranose are: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1.3; (6)ACD/BCF (pH 7.4): 1.3; (7)ACD/KOC (pH 5.5): 42.05; (8)ACD/KOC (pH 7.4): 42.05; (9)#H bond acceptors: 11; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 134.74 Å²; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 86.91 cm³; (15)Molar Volume: 299.4 cm³; (16)Polarizability: 34.45×10^-24 cm³; (17)Surface Tension: 47.6 dyne/cm; (18)Density: 1.3 g/cm³; (19)Flash Point: 274.4 °C; (20)Enthalpy of Vaporization: 80.54 kJ/mol; (21)Boiling Point: 530.2 °C at 760 mmHg; (22)Vapour Pressure: 2.53E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC1OC(C(OC(=O)C)C(OC(=O)C)C1NC(=O)C)COC(=O)C)C
(2) InChI: InChI=1/C16H23NO10/c1-7(18)17-13-15(25-10(4)21)14(24-9(3)20)12(6-23-8(2)19)27-16(13)26-11(5)22/h12-16H,6H2,1-5H3,(H,17,18)
(3) InChIKey: OVPIZHVSWNOZMN-UHFFFAOYAB

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Specification