Basic information
- Name:
D-Glucose, 2-(acetylamino)-2-deoxy-
- Superlist Name:
- N-Acetyl-D-glucosamine
- CAS No.:
7512-17-6
- Molecular Structure:
- Formula:
- C8H15NO6
- Molecular Weight:
- 221.21
- Deleted CAS:
- 134-61-2|7132-76-5|98632-70-3|98632-70-3|948887-87-4
- Synonyms:
- 2-Acetamido-D-glucose;N-acetyl-β-D-glucosamine;2-Acetamido-2-deoxy-D-glucose;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-acetyl D-Glucosamine;
- EINECS:
- 231-368-2
- Density:
- 1.423 g/cm3
- Melting Point:
- 211 °C (dec.)(lit.)
- Boiling Point:
- 636.4 °C at 760 mmHg
- Flash Point:
- 338.7 °C
- Appearance:
- white crystalline powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 24/25-36-26 Details
- particular:
- particular
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Specification
The CAS registry number of N-Acetyl-D-glucosamine is 7512-17-6. With the EINECS registry number 231-368-2, its systematic name is 2-(acetylamino)-2-deoxy-D-glucose. In addition, the molecular formula is C8H15NO6. What's more, it is a kind of white powder which can be used to treat osteoarthritis and rheumatoid arthritis.
Physical properties about this chemical are: (1)ACD/LogP: -2.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.68; (4)ACD/LogD (pH 7.4): -2.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 74.3 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 48.89 cm3; (15)Molar Volume: 155.3 cm3; (16)Polarizability: 19.38 ×10-24cm3; (17)Surface Tension: 69.6 dyne/cm; (18)Density: 1.423 g/cm3; (19)Flash Point: 338.7 °C; (20)Enthalpy of Vaporization: 107.73 kJ/mol; (21)Boiling Point: 636.4 °C at 760 mmHg; (22)Vapour Pressure: 7.12E-19 mmHg at 25°C.
Uses of N-Acetyl-D-glucosamine: it can react with phenylmethanol to get N-(O1-benzyl-a-D-glucopyranose-2-yl)-acetamide]. This reaction will need reagent BF3*Et2O. The reaction time is 6 hours by heating. The yield is about 47%.
![N-Acetyl-D-glucosamine can react with phenylmethanol to get N-(O1-benzyl-a-D-glucopyranose-2-yl)-acetamide]](/UserFilesUpload/Uses of N-Acetyl-D-glucosamine.jpg)
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C[C@H](NC(=O)C)[C@@H](O)[C@H](O)[C@H](O)CO
(2)Std. InChI: InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1
(3)Std. InChIKey: MBLBDJOUHNCFQT-LXGUWJNJSA-N