Val-Gln - ≥95% , CAS No.42854-54-6

CAS: 42854-54-6 Cat. No.: V1303232 PubChem CID: 5253209

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Canonical Smiles

CC(C)C(C(=O)NC(CCC(=O)N)C(=O)O)N

IUPAC Name

5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid

InChIKey

XXDVDTMEVBYRPK-UHFFFAOYSA-N

INCHI

1S/C10H19N3O4/c1-5(2)8(12)9(15)13-6(10(16)17)3-4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)

Isomeric SMILES

CC(C)C(C(=O)NC(CCC(=O)N)C(=O)O)N

Alternate CAS

42854-54-6

PubChem CID

5253209

Chemical and Physical Properties

• Molecular Weight: 245.280 g/mol
• XLogP3: -4.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 245.138 Da
• Monoisotopic Mass: 245.138 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 304.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1