Cas no 1318166-37-8 ((-)-CXL017)
(-)-CXL017 structure
Product Name:(-)-CXL017
(-)-CXL017 Chemical and Physical Properties
Names and Identifiers
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- (R)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-4-oxobut-2-enamido)propanoic acid
- CHEBI:200317
- (-)-xylariamide A
- (2R)-3-(3-chloro-4-hydroxy-phenyl)-2-[[(E)-4-methoxy-4-oxo-but-2-enoyl]amino]propanoic acid
- cxl017
- 1318166-37-8
- BDBM50339590
- CHEMBL463133
- (2R)-3-(3-chloro-4-hydroxyphenyl)-2-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoic acid
- (-)-CXL017
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- Inchi： InChI=1S/C14H14ClNO6/c1-22-13(19)5-4-12(18)16-10(14(20)21)7-8-2-3-11(17)9(15)6-8/h2-6,10,17H,7H2,1H3,(H,16,18)(H,20,21)/b5-4+/t10-/m1/s1
- InChI Key： KCOKHEIACSQLBQ-ORAHPGNNSA-N
- SMILES： COC(=O)C=CC(=O)NC(CC1=CC(=C(C=C1)O)Cl)C(=O)O
Computed Properties
- Exact Mass: 327.0509649g/mol
- Monoisotopic Mass: 327.0509649g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 453
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 113?2
(-)-CXL017 Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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