The D-Phenylalanine,4-fluoro-, hydrochloride (9CI), with CAS registry number 122839-52-5, belongs to the following product categories: (1)Phenylalanine [Phe, F]; (2)Unusual Amino Acids; (3)Amino hydrochloride; (4)Peptide Synthesis; (5)Phenylalanine Derivatives; (6)Unnatural Amino Acid Derivatives. It has the systematic name of 4-fluoro-D-phenylalanine hydrochloride.
Physical properties of D-Phenylalanine,4-fluoro-, hydrochloride (9CI): (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å2; (7)Enthalpy of Vaporization: 62.02 kJ/mol; (8)Vapour Pressure: 2.64E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C[C@H](C(=O)O)N.Cl
(2)InChI: InChI=1/C9H10FNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m1./s1
(3)InChIKey: ZDECBCKSULAIGP-DDWIOCJRBZ
(4)Std. InChI: InChI=1S/C9H10FNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m1./s1
(5)Std. InChIKey: ZDECBCKSULAIGP-DDWIOCJRSA-N
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