Cas no 210687-33-5 (D-Alanine, alanyl-)
D-Alanine, alanyl- structure
Product Name:D-Alanine, alanyl-
CAS No:210687-33-5
MF:C6H12N2O3
MW:160.171081542969
CID:242306
PubChem ID:20111691
Update Time:2025-04-19
D-Alanine, alanyl- Chemical and Physical Properties
Names and Identifiers
-
- D-Alanine, alanyl-
- D-Alanine, alanyl- (9CI)
- CHEMBL190534
- BDBM50169118
- AKOS017426548
- (R)-2-(2-Amino-propionylamino)-propionic acid
- SCHEMBL380599
- H-D-Ala-DL-Ala-OH
- 210687-33-5
-
- Inchi： 1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3?,4-/m1/s1
- InChI Key： DEFJQIDDEAULHB-SRBOSORUSA-N
- SMILES： O=C(C(C)N)N[C@@H](C(=O)O)C
Computed Properties
- Exact Mass: 160.08486
- Monoisotopic Mass: 160.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 169
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 92.4A^2
- XLogP3: -3.3
Experimental Properties
- Density: 1.208
- Boiling Point: 402.6 °C at 760 mmHg
- Flash Point: 197.3 °C
- Refractive Index: 1.492
- PSA: 92.42
D-Alanine, alanyl- Related Literature
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Jean van Heijenoort Nat. Prod. Rep. 2001 18 503
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2. A 1H nuclear magnetic resonance study of the interactions of vancomycin with N-acetyl-D-alanyl-D-alanine and related peptidesOdile Convert,Alessandro Bongini,James Feeney J. Chem. Soc. Perkin Trans. 2 1980 1262
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Dudley H. Williams Nat. Prod. Rep. 1996 13 469
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4. Infrared spectroscopic studies of vancomycin and its interactions with N-acetyl-D-Ala-D-Ala and N,N′-diacetyl-L-Lys-D-Ala-D-AlaColin J. Salter,Robert C. Mitchell,Alex F. Drake J. Chem. Soc. Perkin Trans. 2 1995 2203
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5. Synthesis of extended bacterial cell-wall precursor analogues for ligand binding studies with glycopeptide antibioticsThomas Staroske,Jochen G?rlitzer,Richard M. H. Entress,Matthew A. Cooper,Dudley H. Williams J. Chem. Soc. Perkin Trans. 1 1999 1105
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