China (Mainland)
2-Acetamido-2-deoxy-alpha-D-glucose CAS NO.10036-64-3
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Keywords
- a-N-Acetylglucosamine
- N-Acetyl-a-D-glucosamine
- a-N-Acetyl-D-glucosamin
Quick Details
- ProName: 2-Acetamido-2-deoxy-alpha-D-glucose
- CasNo: 10036-64-3
- Application: The alpha-D-Glucopyranose,2-(acetylami...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- Transportation: The alpha-D-Glucopyranose,2-(acetylami...
- LimitNum: 0 Metric Ton
Superiority
The alpha-D-Glucopyranose,2-(acetylamino)-2-deoxy- is an organic compound with the formula C8H15NO6. The IUPAC name of this chemical is N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide. With the CAS registry number 10036-64-3, it is also named as N-(2,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl)-acetamide. Besides, it is a white to off-white powder, which should be stored in a clsoed cool and dry place.
Physical properties about alpha-D-Glucopyranose,2-(acetylamino)-2-deoxy- are: (1)ACD/LogP: -2.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.48; (4)ACD/LogD (pH 7.4): -2.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.07; (8)ACD/KOC (pH 7.4): 1.07; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 66.46 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 48.57 cm3; (15)Molar Volume: 146.8 cm3; (16)Polarizability: 19.25×10-24cm3; (17)Surface Tension: 75.1 dyne/cm; (18)Density: 1.5 g/cm3; (19)Flash Point: 313.9 °C; (20)Enthalpy of Vaporization: 101.81 kJ/mol; (21)Boiling Point: 595.4 °C at 760 mmHg; (22)Vapour Pressure: 1.18E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC1C(O)C(O)C(OC1O)CO)C
(2)InChI: InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)
(3)InChIKey: OVRNDRQMDRJTHS-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)
(5)Std. InChIKey: OVRNDRQMDRJTHS-UHFFFAOYSA-N
Details
The alpha-D-Glucopyranose,2-(acetylamino)-2-deoxy- is an organic compound with the formula C8H15NO6. The IUPAC name of this chemical is N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide. With the CAS registry number 10036-64-3, it is also named as N-(2,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl)-acetamide. Besides, it is a white to off-white powder, which should be stored in a clsoed cool and dry place.
Physical properties about alpha-D-Glucopyranose,2-(acetylamino)-2-deoxy- are: (1)ACD/LogP: -2.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.48; (4)ACD/LogD (pH 7.4): -2.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.07; (8)ACD/KOC (pH 7.4): 1.07; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 66.46 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 48.57 cm3; (15)Molar Volume: 146.8 cm3; (16)Polarizability: 19.25×10-24cm3; (17)Surface Tension: 75.1 dyne/cm; (18)Density: 1.5 g/cm3; (19)Flash Point: 313.9 °C; (20)Enthalpy of Vaporization: 101.81 kJ/mol; (21)Boiling Point: 595.4 °C at 760 mmHg; (22)Vapour Pressure: 1.18E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC1C(O)C(O)C(OC1O)CO)C
(2)InChI: InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)
(3)InChIKey: OVRNDRQMDRJTHS-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)
(5)Std. InChIKey: OVRNDRQMDRJTHS-UHFFFAOYSA-N