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2771-48-4

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Basic Information
CAS No.: 2771-48-4
Name: METHYL-2-ACETAMIDO-2-DEOXY-SS-D-GLUCOPYRANOSIDE
Article Data: 40
Molecular Structure:
Molecular Structure of 2771-48-4 (METHYL-2-ACETAMIDO-2-DEOXY-SS-D-GLUCOPYRANOSIDE)
Formula: C15H23NO9
Molecular Weight: 361.349
Synonyms: Glucopyranoside,methyl 2-acetamido-2-deoxy-, 3,4,6-triacetate, b-D- (7CI,8CI);b-D-Glucopyranoside, methyl 2-acetamido-2-deoxy-,triacetate (6CI);Methyl 2-acetamido-2-deoxy-3,4,6-tri-O-acetyl-b-D-glucopyranoside;
Density: 1.261 g/cm3
Melting Point: 238 °C (decomp)
Boiling Point: 504.941 °C at 760 mmHg
Flash Point: 259.179 °C
PSA: 108.25000
LogP: -2.03260
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Specification

The Methyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside, with the cas registry number 2771-48-4, has the systematic name of methyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside. And the molecular fomula of the chemical is C15H23NO9.

The characteristics of this chemical are as followings: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22; (8)ACD/KOC (pH 7.4): 22; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 126.46 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 82.164 cm3; (15)Molar Volume: 286.45 cm3; (16)Polarizability: 32.572×10-24cm3; (17)Surface Tension: 44.966 dyne/cm; (18)Density: 1.261 g/cm3; (19)Flash Point: 259.179 °C; (20)Enthalpy of Vaporization: 77.451 kJ/mol; (21)Boiling Point: 504.941 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
 
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC[C@H]1O[C@@H](OC)[C@H](NC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)C
(2)InChI: InChI=1/C15H23NO9/c1-7(17)16-12-14(24-10(4)20)13(23-9(3)19)11(6-22-8(2)18)25-15(12)21-5/h11-15H,6H2,1-5H3,(H,16,17)/t11-,12-,13-,14-,15-/m1/s1
(3)InChIKey: BKJUFVXNIJMMKO-KJWHEZOQBC