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21675-59-2

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Basic Information
CAS No.: 21675-59-2
Name: H-LEU-D-PHE-OH
Molecular Structure:
Molecular Structure of 21675-59-2 (H-LEU-D-PHE-OH)
Formula: C15H22N2O3
Molecular Weight: 278.351
Synonyms: Alanine, N-L-leucyl-3-phenyl-, D- (8CI);D-Phenylalanine, N-L-leucyl-;L-Leucyl-D-phenylalanine;Leucyl-D-phenylalanine;
Density: 1.144 g/cm3
Boiling Point: 501.2 °C at 760 mmHg
Flash Point: 256.9 °C
PSA: 92.42000
LogP: 2.26310
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Specification

The D-Phenylalanine, L-leucyl-, with the CAS registry number 21675-59-2, is also known as L-Leucyl-D-phenylalanine. This chemical's molecular formula is C15H22N2O3 and molecular weight is 278.35. What's more, its systematic name is (2S)-2-{[(2S)-2-Ammonio-4-methylpentanoyl]amino}-3-phenylpropanoate.

Physical properties about D-Phenylalanine, L-leucyl- are: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 57.61 Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 76.83 cm3; (9)Molar Volume: 243.1 cm3; (10)Polarizability: 30.45×10-24 cm3; (11)Surface Tension: 47.4 dyne/cm; (12)Density: 1.144 g/cm3; (13)Flash Point: 256.9 °C; (14)Enthalpy of Vaporization: 81.09 kJ/mol; (15)Boiling Point: 501.2 °C at 760 mmHg; (16)Vapour Pressure: 7.23E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]C(=O)[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)Cc1ccccc1
(2) InChI: InChI=1/C15H22N2O3/c1-10(2)8-12(16)14(18)17-13(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1
(3) InChIKey: KFKWRHQBZQICHA-STQMWFEEBS