Cas no 132759-54-7 (Norvaline, N-acetyl-5-hydroxy-, methyl ester)
132759-54-7 structure
Product Name:Norvaline, N-acetyl-5-hydroxy-, methyl ester
CAS No:132759-54-7
MF:C8H15NO4
MW:189.209002733231
CID:1231260
Update Time:2024-08-03
Norvaline, N-acetyl-5-hydroxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Norvaline, N-acetyl-5-hydroxy-, methyl ester
- Norvaline, N-acetyl-5-hydroxy-, methyl ester
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- Inchi： 1S/C8H15NO4/c1-6(11)9-7(4-3-5-10)8(12)13-2/h7,10H,3-5H2,1-2H3,(H,9,11)/t7-/m0/s1
- InChI Key： SUPDUJHQKDTJCC-ZETCQYMHSA-N
- SMILES： C(OC)(=O)[C@H](CCCO)NC(C)=O
Computed Properties
- Exact Mass: 189.10015
- Monoisotopic Mass: 189.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _0.9
- Topological Polar Surface Area: 75.6A^2
Experimental Properties
- Density: 1.126±0.06 g/cm3(Predicted)
- Boiling Point: 356.2±32.0 °C(Predicted)
- PSA: 75.63
- pka: 14.65±0.46(Predicted)
Norvaline, N-acetyl-5-hydroxy-, methyl ester Related Literature
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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