CAS No.13343-62-9,BENZYL 2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13343-62-9
Name:	BENZYL 2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
Article Data:	71

Formula:	C₁₅H₂₁NO₆
Molecular Weight:	311.335
Synonyms:	Benzyl 2-N-acetyl-2-amino-2-deoxy-α-D-glucopyranoside;
Density:	1.34 g/cm³
Melting Point:	183-185 °C
Boiling Point:	594.9 °C at 760 mmHg
Flash Point:	313.6 °C
Appearance:	White Powder
Hazard Symbols:	Xi
PSA:	108.25000
LogP:	-0.46220

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Specification

The α-D-Glucopyranoside, phenylmethyl2-(acetylamino)-2-deoxy-, with the CAS registry number of 13343-62-9, is also known as Benzyl 2-N-acetyl-2-amino-2-deoxy-α-D-glucopyranoside. Its molecular formula is C₁₅H₂₁NO₆ and molecular weight is 311.330340. What's more, its IUPAC name is N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide.

Physical properties about the α-D-Glucopyranoside, phenylmethyl2-(acetylamino)-2-deoxy- are: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 3.47; (6)ACD/BCF (pH 7.4): 3.47; (7)ACD/KOC (pH 5.5): 84.82; (8)ACD/KOC (pH 7.4): 84.81; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 66.46 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 78.12 cm³; (15)Molar Volume: 231.4 cm³; (16)Surface Tension: 62.1 dyne/cm; (17)Density: 1.34 g/cm³; (18)Flash Point: 313.6 °C; (19)Enthalpy of Vaporization: 93.24 kJ/mol; (20)Boiling Point: 594.9 °C at 760 mmHg; (21)Vapour Pressure: 5.36E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@H]2OCc1ccccc1)CO)C
(2) InChI: InChI=1/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15+/m1/s1
(3) InChIKey: SKOZFDIGKDPQBO-RYPNDVFKBW