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13343-67-4

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Basic Information
CAS No.: 13343-67-4
Name: BENZYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
Article Data: 36
Molecular Structure:
Molecular Structure of 13343-67-4 (BENZYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE)
Formula: C15H21NO6
Molecular Weight: 311.335
Synonyms: Glucopyranoside,benzyl 2-acetamido-2-deoxy-, b-D- (8CI);b-D-Glucopyranoside,benzyl 2-acetamido-2-deoxy- (6CI);Benzyl 2-acetamido-2-deoxy-b-D-glucopyranoside;
Melting Point: 183-198 °C
Boiling Point: 594.855 °C at 760 mmHg
Flash Point: 313.557 °C
Appearance: White solid
PSA: 108.25000
LogP: -0.46220
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Specification

The b-D-Glucopyranoside, phenylmethyl2-(acetylamino)-2-deoxy- with CAS registry number of 13343-67-4 is also known as Benzyl 2-acetamido-2-deoxy-b-D-glucopyranoside. The systematic name is N-[(2R,3S,4R,5S)-2-Benzyloxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide. It belongs to product categories of Carbohydrates & Derivatives. In addition, the formula is C15H21NO6 and the molecular weight is 311.33. This chemical is a white solid and should be stored at the temperature of –20 °C.

Physical properties about b-D-Glucopyranoside, phenylmethyl2-(acetylamino)-2-deoxy- are: (1)ACD/LogP: 0.21; (2)ACD/LogD (pH 5.5): 0.213; (3)ACD/LogD (pH 7.4): 0.213; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 31.112; (7)ACD/KOC (pH 7.4): 31.112; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 108.25Å2; (12)Index of Refraction: 1.59; (13)Molar Refractivity: 78.128 cm3; (14)Molar Volume: 231.408 cm3; (15)Polarizability: 30.972×10-24cm3; (16)Surface Tension: 62.139 dyne/cm; (17)Density: 1.345 g/cm3; (18)Flash Point: 313.557 °C; (19)Enthalpy of Vaporization: 93.237 kJ/mol; (20)Boiling Point: 594.855 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
1. SMILES: CC(=O)N[C@H]1[C@H]([C@@H](C(O[C@H]1OCc2ccccc2)CO)O)O
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+/m0/s1
3. InChIKey: SKOZFDIGKDPQBO-ADSKKKOIBN