N-Acetyl-D-glucosamine 2-epimerase structure

3D Mol Similar

N-Acetyl-D-glucosamine 2-epimerase

Iupac Name：1-iodo-4-(4-iodophenyl)benzene

CAS No.：3001-15-8

Molecular Weight：406.005

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1. Names and Identifiers

1.1 Name: N-Acetyl-D-glucosamine 2-epimerase
1.2 Synonyms: Acylglucosamine 2-epimerase E.C. 5.1.3.8 Epimerase, acylglucosamine 2- N-Acetyl-D-glucosamine 2-epimerase N-Acetylglucosamine 2-epimerase N-Acyl-D-glucosamine 2-epimerase N-acylglucosamine 2-epimerase N-Acylglucosamine-2-epimerase

1.3 CAS No.: 3001-15-8

1.4 CID: 76348

1.5 Inchi: InChI=1S/C12H8I2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

1.6 InChkey: GPYDMVZCPRONLW-UHFFFAOYSA-N

1.7 Canonical Smiles: C1=CC(=CC=C1C2=CC=C(C=C2)I)I

1.8 Isomers Smiles: C1=CC(=CC=C1C2=CC=C(C=C2)I)I

2. Properties

3.1 Melting point: 201-204℃

3.1 Refractive index: 1.697

3.1 Precise Quality: 405.87200

3.1 PSA: 0.00000

3.1 logP: 4.56280

3. Safety and Handling

4.1 Risk Statements: R20/21/22

4.1 Safety Statements: S36

4.1 Packing Group: II

4.1 Hazard Class: 9

4.1 RIDADR: UN 3152

4.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H312 Harmful in contact with skin H332 Harmful if inhaled
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Computational chemical data

Molecular Weight：406.005g/mol
Molecular Formula：
Compound Is Canonicalized：True
XLogP3-AA：
Exact Mass：405.87155
Monoisotopic Mass：405.87155
Complexity：145
Rotatable Bond Count：1
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：0
Topological Polar Surface Area：0
Heavy Atom Count：14
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1

6. Recommended Suppliers

Global226SuppliersView all >>

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Henan Violet Technology Co., Ltd. Diamond member

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Time: 2021/08/31

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Jinlan Pharm-Drugs Technology Co., Limited Diamond member

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Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
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Purity:99%Packing: 200kg/bag FOB
Price: 100 USD/kilogram
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SHANDONG BELIEVE CHEMICAL PTE LTD Diamond member

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Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/gram
Time: 2022/05/21

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Hangzhou ZeErRui Chemical Co., Ltd. Diamond member

1YR

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4,4'-Diiodobiphenyl manufacture

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Time: 2022/05/20

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