D-Alanyl-D-alanine

• Catalog Number: ACM923160
• Product Name: D-Alanyl-D-alanine
• CAS: 923-16-0
• Category: Heterocyclic Organic Compound
• Synonyms: (R)-N-(D-Alanyl)-2-methylglycine
• IUPAC Name: (2R)-2-[[(2R)-2-Aminopropanoyl]amino]propanoic acid
• Molecular Weight: 160.17
• Molecular Formula: C6H12N2O3
• Canonical SMILES: CC(C(=O)NC(C)C(=O)O)N
• InChI: 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-QWWZWVQMSA-N
• Boiling Point: 402.6±30.0 °C
• Melting Point: 120 °C
• Flash Point: 197.3 °C
• Density: 1.208±0.06 g/cm³
• Appearance: Solid
• Storage: Sealed in dry, 2-8 °C
• Complexity: 169
• Exact Mass: 160.08479225
• Isomeric SMILES: C[C@H](C(=O)N[C@H](C)C(=O)O)N
• Monoisotopic Mass: 160.08479225
• pKa: 3.16±0.10(Predicted)
• Topological Polar Surface Area: 92.4 Ų

Custom Q&A

What is the PubChem CID for D-alanyl-D-alanine?

The PubChem CID for D-alanyl-D-alanine is 5460362.

What is the molecular formula of D-alanyl-D-alanine?

The molecular formula of D-alanyl-D-alanine is C6H12N2O3.

What is the molecular weight of D-alanyl-D-alanine?

The molecular weight of D-alanyl-D-alanine is 160.17 g/mol.

What is the IUPAC name of D-alanyl-D-alanine?

The IUPAC name of D-alanyl-D-alanine is (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoic acid.

What is the InChI of D-alanyl-D-alanine?

The InChI of D-alanyl-D-alanine is 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.

What is the InChIKey of D-alanyl-D-alanine?

The InChIKey of D-alanyl-D-alanine is DEFJQIDDEAULHB-QWWZWVQMSA-N.

What is the canonical SMILES of D-alanyl-D-alanine?

The canonical SMILES of D-alanyl-D-alanine is CC(C(=O)NC(C)C(=O)O)N.

What is the CAS number of D-alanyl-D-alanine?

The CAS number of D-alanyl-D-alanine is 923-16-0.

What is the UNII of D-alanyl-D-alanine?

The UNII of D-alanyl-D-alanine is 1BVK9QMW8G.

What is the ChEMBL ID of D-alanyl-D-alanine?

The ChEMBL ID of D-alanyl-D-alanine is CHEMBL299420.