CAS No.14086-88-5,3-ACETAMIDO-3-DEOXY-D-GLUCOSE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14086-88-5
Name:	3-ACETAMIDO-3-DEOXY-D-GLUCOSE
Article Data:	8

Formula:	C₈H₁₅NO₆
Molecular Weight:	221.21
Synonyms:	3-Acetamido-3-deoxy-D-glucose;
Melting Point:	204-205 °C
Boiling Point:	581.777 °C at 760 mmHg
Flash Point:	305.648 °C
Appearance:	White solid
PSA:	119.25000
LogP:	-2.68670

Synthetic route

: 14728-80-4
1,2:5,6-di-O-isopropylidene-3-O-(methylsulphonyl)-α-D-allofuranose

: 108-24-7
acetic anhydride

: 14086-88-5
3-acetamido-3-deoxy-D-glucose

Conditions

Conditions	Yield
(i) NaN3, DMF, (ii) H2, Pd-C, MeOH, (iii) /BRN= 385737/; Multistep reaction;

: 19309-98-9
3-amino-3-deoxy-D-glucopyranose

: 108-24-7
acetic anhydride

: 14086-88-5
3-acetamido-3-deoxy-D-glucose

Conditions

Conditions	Yield
In methanol

: 104875-44-7
3-azido-3-deoxy-D-glucopyranose

: 14086-88-5
3-acetamido-3-deoxy-D-glucose

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2 / Pd(OH)2 2: methanol View Scheme

: 14086-88-5
3-acetamido-3-deoxy-D-glucose

UDP-glucose: UDP-glucose

: β,β-D-Gal-(1<->1)-D-Glc3NAc

Conditions

Conditions	Yield
With α-lactalbumin In various solvent(s) at 30℃; for 30h; galactosyltransferase from bovine milk, UDP-glucose epimerase;	26%

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Specification

The Glucopyranose,3-acetamido-3-deoxy-, D- (8CI), with the CAS registry number 14086-88-5, is also known as 3-Acetamido-3-deoxy-D-glucose. It belongs to the product categories of Aldehydes; Carbohydrates & Derivatives. This chemical's molecular formula is C₈H₁₅NO₆ and molecular weight is 221.21. Its IUPAC name is called N-[(2R,3S,4S,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]acetamide. What's more, this chemical is white solid.

Physical properties of Glucopyranose,3-acetamido-3-deoxy-, 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): 4.362; (5)ACD/KOC (pH 7.4): 4.362; (6)#H bond acceptors: 7; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 6; (9)Index of Refraction: 1.576; (10)Molar Refractivity: 48.578 cm³; (11)Molar Volume: 146.866 cm³; (12)Surface Tension: 75.179 dyne/cm; (13)Density: 1.506 g/cm³; (14)Flash Point: 305.648 °C; (15)Enthalpy of Vaporization: 99.878 kJ/mol; (16)Boiling Point: 581.777 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)N[C@@H]1[C@@H]([C@@H](OC([C@H]1O)CO)O)O
(2)InChI: InChI=1/C8H15NO6/c1-3(11)9-5-6(12)4(2-10)15-8(14)7(5)13/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4?,5-,6+,7-,8+/m0/s1
(3)InChIKey: VXUMVOQGKNZDNY-YMSFOUKABA