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14257-40-0

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Basic Information
CAS No.: 14257-40-0
Name: 6-CHLORO-6-DEOXY-D-MANNOSE
Article Data: 32
Molecular Structure:
Molecular Structure of 14257-40-0 (6-CHLORO-6-DEOXY-D-MANNOSE)
Formula: C14H19ClO9
Molecular Weight: 366.752
Synonyms: Mannopyranosylchloride, tetraacetate, a-D- (8CI);a-D-Mannopyranosylchloride, tetraacetate (9CI);2,3,4,6-Tetra-O-acetyl-a-D-mannopyranosyl chloride;Tetra-O-acetyl-a-D-mannopyranosylchloride;
Density: 1.33 g/cm3
Melting Point: 69-71 °C
Boiling Point: 406.4 °C at 760 mmHg
Flash Point: 144.2 °C
Appearance: white crystalline solid
Hazard Symbols: IrritantXi
PSA: 114.43000
LogP: 0.30830
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Specification

The alpha-D-Mannopyranosyl chloride,2,3,4,6-tetraacetate, with the CAS registry number 14257-40-0, is also known as Acetochloro-alpha-D-mannose. It belongs to the product categories of 13C & 2H Sugars; Carbohydrates & Derivatives. This chemical's molecular formula is C14H19ClO9 and molecular weight is 366.74826. Its IUPAC name is called (3,4,5-triacetyloxy-6-chlorooxan-2-yl)methyl acetate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. What's more, this chemical is white crystalline solid.

Physical properties of alpha-D-Mannopyranosyl chloride,2,3,4,6-tetraacetate: (1)ACD/LogP: 1.41; (2)ACD/LogD (pH 5.5): 1.4; (3)ACD/LogD (pH 7.4): 1.4; (4)#H bond acceptors: 9; (5)#Freely Rotating Bonds: 9; (6)Index of Refraction: 1.486; (7)Molar Refractivity: 78.71 cm3; (8)Molar Volume: 274 cm3; (9)Surface Tension: 45.6 dyne/cm; (10)Density: 1.33 g/cm3; (11)Flash Point: 144.2 °C; (12)Enthalpy of Vaporization: 65.81 kJ/mol; (13)Boiling Point: 406.4 °C at 760 mmHg; (14)Vapour Pressure: 8.15E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)Cl)OC(=O)C)OC(=O)C)OC(=O)C
(2)InChI: InChI=1S/C14H19ClO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3
(3)InChIKey: BYWPSIUIJNAJDV-UHFFFAOYSA-N