Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: Mutarotase
CAS No.: 9031-76-9
Molecular formula: C126H171Cl9O9
Molecular weight: 2148.8 g/mol
SMILES: CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl
Structural class:
Other identifiers:

aldose 1-epimerase

aldose mutarotase

mutarotase

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 500U BR,≥170u/mg protein 403 2-8℃(不可冷冻) in stock -
Kehua Intelligence 2.5ku BR,≥170u/mg protein 1200 2-8℃(不可冷冻) in stock -
Kehua Intelligence 10ku BR,≥170u/mg protein 3600 2-8℃(不可冷冻) in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-(3-chlorophenyl)-2,4,4-trimethylpentan-1-one


4.2 InChI

InChI=1S/9C14H19ClO/c9*1-10(9-14(2,3)4)13(16)11-6-5-7-12(15)8-11/h9*5-8,10H,9H2,1-4H3


4.3 InChIKey

XNZVUNNBBKCSQO-UHFFFAOYSA-N


4.4 Canonical SMILES

CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl.CC(CC(C)(C)C)C(=O)C1=CC(=CC=C1)Cl


4.5 Isomeric SMILES

-

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon
-- No 3D model data available --