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| CAS No.: | 655-42-5 |
|---|---|
| Name: | N-BENZOYL-D-GLUCOSAMINE |
| Molecular Structure: | |
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| Formula: | C13H17NO6 |
| Molecular Weight: | 283.281 |
| Synonyms: | D-Glucose,2-benzamido-2-deoxy- (7CI,8CI);Glucosamine, N-benzoyl- (6CI);N-Benzoyl-D-glucosamine;N-Benzoylglucosamine;NSC 231847;2-(Benzoylamino)-2-deoxy-D-glucopyranose; |
| Density: | 1.489 g/cm3 |
| Melting Point: | 196-200 °C (decomp) |
| Boiling Point: | 644.349 °C at 760 mmHg |
| Flash Point: | 343.49 °C |
| Solubility: | almost transparency in hot Water |
| PSA: | 119.25000 |
| LogP: | -1.39280 |
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Specification
The D-Glucose,2-(benzoylamino)-2-deoxy-, with the CAS registry number 655-42-5, is also known as N-Benzoyl-D-glucosamine. It belongs to the product categories of 13C & 2H Sugars; Aminosugars; Biochemistry; Glucose; Sugars. This chemical's molecular formula is C13H17NO6 and molecular weight is 283.28. What's more, its systematic name is 2-(benzoylamino)-2-deoxy-D-glucopyranose.
Physical properties of D-Glucose,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.
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=1S/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-FGDGVPSKSA-N