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CAS No.: | 6082-04-8 |
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Name: | METHYL 2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE |
Article Data: | 73 |
Molecular Structure: | |
Formula: | C9H17NO6 |
Molecular Weight: | 235.237 |
Synonyms: | Glucopyranoside,methyl 2-acetamido-2-deoxy-, a-D- (8CI);Methyl 2-acetamido-2-deoxy-a-D-glucopyranoside;Methyl 2-acetamido-2-deoxy-a-D-glucoside;Methyl2-deoxy-2-acetamido-a-D-glucopyranoside;Methyl N-acetyl-a-D-glucosaminide;Methyl N-acetyl-a-glucosaminide;NSC 77914;a-Methyl N-acetylglucosaminide; |
EINECS: | 1533716-785-6 |
Density: | 1.36g/cm3 |
Melting Point: | 186-187°C |
Boiling Point: | 525.5 °C at 760 mmHg |
Flash Point: | 271.6 °C |
PSA: | 108.25000 |
LogP: | -2.03260 |
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The Methyl 2-Acetamido-2-deoxy-alpha-D-glucopyranoside, with CAS registry number 6082-04-8, belongs to the following product categories: Carbohydrates & Derivatives. It has the systematic name of methyl 2-(acetylamino)-2-deoxyhexopyranoside. And it is a kind of white powder.
Physical properties about this chemical are: (1)ACD/LogP: -1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5.48; (6)ACD/KOC (pH 7.4): 5.48; (7)#H bond acceptors: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 66.46 Å2; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 53.41 cm3; (13)Molar Volume: 171.9 cm3; (14)Polarizability: 21.17×10-24cm3; (15)Surface Tension: 58.6 dyne/cm; (16)Enthalpy of Vaporization: 92.01 kJ/mol; (17)Vapour Pressure: 3.07E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC1C(O)C(O)C(OC1OC)CO)C
(2)InChI: InChI=1/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)
(3)InChIKey: ZEVOCXOZYFLVKN-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)
(5)Std. InChIKey: ZEVOCXOZYFLVKN-UHFFFAOYSA-N