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15475-14-6

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Basic Information
CAS No.: 15475-14-6
Name: N-PROPIONYL-D-GLUCOSAMINE
Article Data: 15
Molecular Structure:
Molecular Structure of 15475-14-6 (N-PROPIONYL-D-GLUCOSAMINE)
Formula: C9H17NO6
Molecular Weight: 235.237
Synonyms: D-glucopyranose, 2-deoxy-2-[(1-oxopropyl)amino]-;2-Deoxy-2-(propionylamino)-D-glucopyranose;
Density: 1.441 g/cm3
Boiling Point: 585.26 °C at 760 mmHg
Flash Point: 307.754 °C
PSA: 119.25000
LogP: -2.29660
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Specification

The Glucopyranose,2-deoxy-2-propionamido-, D- (8CI), with the CAS registry number 15475-14-6, is also known as D-Glucopyranose, 2-deoxy-2-[(1-oxopropyl)amino]-. It belongs to the product categories of Aminosugars; Biochemistry; Glucose; Sugars. This chemical's molecular formula is C9H17NO6. Its systematic name is called N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]propanamide.

Physical properties of Glucopyranose,2-deoxy-2-propionamido-, D- (8CI): (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.485; (5)ACD/KOC (pH 7.4): 2.485; (6)#H bond acceptors: 7; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 7; (9)Index of Refraction: 1.566; (10)Molar Refractivity: 53.209 cm3; (11)Molar Volume: 163.213 cm3; (12)Surface Tension: 70.26 dyne/cm; (13)Density: 1.441 g/cm3; (14)Flash Point: 307.754 °C; (15)Enthalpy of Vaporization: 100.373 kJ/mol; (16)Boiling Point: 585.26 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O
(2)InChI: InChI=1/C9H17NO6/c1-2-5(12)10-6-8(14)7(13)4(3-11)16-9(6)15/h4,6-9,11,13-15H,2-3H2,1H3,(H,10,12)/t4-,6-,7-,8-,9?/m1/s1
(3)InChIKey: RTEOJYOKWPEKKN-JOHDSVJWBO