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112898-10-9

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Basic Information
CAS No.: 112898-10-9
Name: 2-ACETAMIDO-N-(E-AMINOCAPROYL)-2-DEOXY-BETA-D-GLUCOPYRANOSYLAMINE
Molecular Structure:
Molecular Structure of 112898-10-9 (2-ACETAMIDO-N-(E-AMINOCAPROYL)-2-DEOXY-BETA-D-GLUCOPYRANOSYLAMINE)
Formula: C14H27N3O6
Molecular Weight: 333.38
Synonyms: 2-(Acetylamino)-N-(6-aminohexanoyl)-2-deoxyhexopyranosylamine;
Density: 1.3 g/cm3
Melting Point: 193-195 °C
Boiling Point: 713 °C at 760 mmHg
Flash Point: 385 °C
Appearance: White solid
PSA: 154.14000
LogP: -0.95250
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Specification

The b-D-Glucopyranosylamine,2-[acetyl(6-amino-1-oxohexyl)amino]-2-deoxy- with CAS registry number of 112898-10-9 is also known as 2-Acetamido-N-(e-aminocaproyl)-2-deoxy-beta-D-glucopyranosylamine. The systematic name is 2-(Acetylamino)-N-(6-aminohexanoyl)-2-deoxyhexopyranosylamine. It belongs to product categories of Affinity Chromatography; Carbohydrates & Derivatives. In addition, the formula is C14H27N3O6 and the molecular weight is 333.38. What's more, this chemical is a white solid and it can be used as ligand for the separation of hexosaminidases using affinity chromatography.

Physical properties about b-D-Glucopyranosylamine,2-[acetyl(6-amino-1-oxohexyl)amino]-2-deoxy- are: (1)ACD/LogP: -2.20; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 9; (4)#H bond donors: 7; (5)#Freely Rotating Bonds: 12; (6)Index of Refraction: 1.557; (7)Molar Refractivity: 82.22 cm3; (8)Molar Volume: 255.3 cm3; (9)Surface Tension: 62.9 dyne/cm; (10)Density: 1.3 g/cm3; (11)Flash Point: 385 °C; (12)Enthalpy of Vaporization: 119.11 kJ/mol; (13)Boiling Point: 713 °C at 760 mmHg; (14)Vapour Pressure: 1.73E-23 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(NC1OC(C(O)C(O)C1NC(=O)C)CO)CCCCCN
2. InChI: InChI=1/C14H27N3O6/c1-8(19)16-11-13(22)12(21)9(7-18)23-14(11)17-10(20)5-3-2-4-6-15/h9,11-14,18,21-22H,2-7,15H2,1H3,(H,16,19)(H,17,20)
3. InChIKey: NLQMXQHRYQBRAG-UHFFFAOYAY
4. Std. InChI: InChI=1S/C14H27N3O6/c1-8(19)16-11-13(22)12(21)9(7-18)23-14(11)17-10(20)5-3-2-4-6-15/h9,11-14,18,21-22H,2-7,15H2,1H3,(H,16,19)(H,17,20)
5. Std. InChIKey: NLQMXQHRYQBRAG-UHFFFAOYSA-N