α-D-Glucopyranose,2-(benzoylamino)-2-deoxy- supplier

Name
N-BENZOYL-D-GLUCOSAMINE
EINECS
CAS No. 61949-16-4
Article Data11
CAS DataBase
Density 1.48 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₇NO₆
Boiling Point 644.349 °C at 760 mmHg
Molecular Weight 283.2772
Flash Point 343.49 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-deoxy-2-benzamido-D-glucopyranose;2-Benzoylamino-2-desoxy-D-glucose;2-Benzoylamino-2-desoxy-D-glucopyranose;2-benzamido-2-deoxy-D-glucopyranose;2-Benzamido-2-deoxy-D-glucose;2-benzoylamino-D-2-deoxy-glucose;查看更多英文别名收起
PSA 119.25000
LogP -1.39280

α-D-Glucopyranose,2-(benzoylamino)-2-deoxy- Specification

The CAS registry number of α-D-Glucopyranose,2-(benzoylamino)-2-deoxy is 61949-16-4. This chemical's molecular formula is C₁₃H₁₇NO₆ and molecular weight is 283.2772. What's more, its systematic name is 2-(Benzoylamino)-2-deoxy-D-glucopyranose.

Physical properties about α-D-Glucopyranose,2-(benzoylamino)-2-deoxy- are: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12; (8)ACD/KOC (pH 7.4): 12; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 119.25 Å²; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 68.66 cm³; (15)Molar Volume: 190.207 cm³; (16)Polarizability: 27.219×10^-24cm³; (17)Surface Tension: 78.541 dyne/cm; (18)Density: 1.489 g/cm³; (19)Flash Point: 343.49 °C; (20)Enthalpy of Vaporization: 99.906 kJ/mol; (21)Boiling Point: 644.349 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@H](OC1O)CO)c2ccccc2
(2) InChI: InChI=1/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)/t8-,9-,10-,11-,13?/m1/s1
(3) InChIKey: VSGKVJPCJOJUBP-FGDGVPSKBI

Product Name

N-BENZOYL-D-GLUCOSAMINE

α-D-Glucopyranose,2-(benzoylamino)-2-deoxy- Specification

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