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b-D-Glucopyranoside,1-naphthalenyl 2-(acetylamino)-2-deoxy- (10329-98-3)

Identification
Name:b-D-Glucopyranoside,1-naphthalenyl 2-(acetylamino)-2-deoxy-
Synonyms:Glucopyranoside,1-naphthyl 2-acetamido-2-deoxy-, b-D- (6CI,8CI);1-Naphthyl 2-acetamido-2-deoxy-b-D-glucopyranoside;
CAS:10329-98-3
EINECS: 233-717-4
Molecular Formula: C18H21NO6
Molecular Weight: 347.3624
InChI: InChI=1/C18H21NO6/c1-10(21)19-15-17(23)16(22)14(9-20)25-18(15)24-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-18,20,22-23H,9H2,1H3,(H,19,21)/t14-,15-,16-,17-,18-/m1/s1
Molecular Structure: (C18H21NO6) Glucopyranoside,1-naphthyl 2-acetamido-2-deoxy-, b-D- (6CI,8CI);1-Naphthyl 2-acetamido-2-deoxy-b-D-g...
Properties
Density:1.39 g/cm3
Refractive index:1.654
Specification:

The 1-Naphthyl-N-acetyl-beta-D-glucosaminide is an organic compound with the formula C18H21NO6. The IUPAC name of this chemical is N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-naphthalen-1-yloxyoxan-3-yl]acetamide. With the CAS registry number 10329-98-3, it is also named as β-D-glucopyranoside, 1-naphthalenyl 2-(acetylamino)-2-deoxy-.

Physical properties about 1-Naphthyl-N-acetyl-beta-D-glucosaminide are: (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 5.5): 1.33; (3)ACD/LogD (pH 7.4): 1.33; (4)ACD/BCF (pH 5.5): 6.04; (5)ACD/BCF (pH 7.4): 6.04; (6)ACD/KOC (pH 5.5): 126.04; (7)ACD/KOC (pH 7.4): 126.04; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 66.46 Å2; (12)Index of Refraction: 1.654; (13)Molar Refractivity: 91.05 cm3; (14)Molar Volume: 248.3 cm3; (15)Polarizability: 36.09×10-24cm3; (16)Surface Tension: 68.5 dyne/cm; (17)Density: 1.39 g/cm3; (18)Flash Point: 362.8 °C; (19)Enthalpy of Vaporization: 104.31 kJ/mol; (20)Boiling Point: 676.4 °C at 760 mmHg; (21)Vapour Pressure: 3.23E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3Oc1cccc2c1cccc2)CO)C
(2)InChI: InChI=1/C18H21NO6/c1-10(21)19-15-17(23)16(22)14(9-20)25-18(15)24-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-18,20,22-23H,9H2,1H3,(H,19,21)/t14-,15-,16-,17-,18-/m1/s1
(3)InChIKey: QJRYPNZYBXWKEV-DUQPFJRNBC
(4)Std. InChI: InChI=1S/C18H21NO6/c1-10(21)19-15-17(23)16(22)14(9-20)25-18(15)24-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-18,20,22-23H,9H2,1H3,(H,19,21)/t14-,15-,16-,17-,18-/m1/s1
(5)Std. InChIKey: QJRYPNZYBXWKEV-DUQPFJRNSA-N

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