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Cas Database |
| Name |
2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-alpha-D-glucopyranosyl chloride |
EINECS | 221-325-6 |
| CAS No. | 3068-34-6 | Density | 1.32 g/cm3 |
| PSA | 117.23000 | LogP | 0.27220 |
| Solubility | N/A | Melting Point |
>214 °C (dec.)(lit.) |
| Formula | C14H20ClNO8 | Boiling Point | 516.4 °C at 760 mmHg |
| Molecular Weight | 365.768 | Flash Point | 266.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
Glucopyranosylchloride, 2-acetamido-2-deoxy-, 3,4,6-triacetate, a-D- (8CI);Glucopyranosyl chloride,2-acetamido-2-deoxy-, triacetate (6CI,7CI);1-Chloro-1-deoxy-2,3,4,6-tetra-O-acetyl-a-D-glucosamine;2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-a-D-glucopyranosyl chloride;2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-a-D-glucopyranosyl chloride;N,3,4,6-O-Tetraacetyl-a-D-glucosaminyl chloride;N-Acetyl-3,4,6-tri-O-acetyl-a-D-glucosamin-2-yl chloride; |
Article Data | 98 |
2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-alpha-D-glucopyranosyl chloride Specification
The 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-alpha-D-glucopyranosyl chloride, with the CAS registry number 3068-34-6, is also known as 3,4,6-Tri-o-acetyl-2-(acetylamino)-2-deoxyhexopyranosyl chloride. It belongs to the product categories of Substrates; 13C & 2H Sugars; Aminosugars; Biochemistry; Glucose; Halogenosugars; O-Substituted Sugars; Sugars; Carbohydrates & Derivatives. Its EINECS number is 221-325-6. This chemical's molecular formula is C14H20ClNO8 and molecular weight is 365.087744. Its IUPAC name is called (5-acetamido-3,4-diacetyloxy-6-chlorooxan-2-yl)methyl acetate.
Physical properties of 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-alpha-D-glucopyranosyl chloride: (1)ACD/LogP: 0.18; (2)ACD/LogD (pH 5.5): 0.18; (3)ACD/LogD (pH 7.4): 0.18; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.76; (7)ACD/KOC (pH 7.4): 29.76; (8)#H bond acceptors: 9; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.497; (12)Molar Refractivity: 80.62 cm3; (13)Molar Volume: 275.5 cm3; (14)Surface Tension: 46.7 dyne/cm; (15)Density: 1.32 g/cm3; (16)Flash Point: 266.1 °C; (17)Enthalpy of Vaporization: 78.85 kJ/mol; (18)Boiling Point: 516.4 °C at 760 mmHg; (19)Vapour Pressure: 9E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC1C(C(C(OC1Cl)COC(=O)C)OC(=O)C)OC(=O)C
(2)InChI: InChI=1S/C14H20ClNO8/c1-6(17)16-11-13(23-9(4)20)12(22-8(3)19)10(24-14(11)15)5-21-7(2)18/h10-14H,5H2,1-4H3,(H,16,17)
(3)InChIKey: NAYYKQAWUWXLPD-UHFFFAOYSA-N
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