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CAS No.: | 201466-03-7 |
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Name: | H-D-BPA-OH |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C16H15NO3 |
Molecular Weight: | 269.3 |
Synonyms: | (2R)-2-Amino-3-(4-benzoylphenyl)propanoic acid;4-(Phenylcarbonyl)-D-phenylalanine;4-Benzoyl-D-phenylalanine; |
Density: | 1.249 g/cm3 |
Boiling Point: | 467.605 °C at 760 mmHg |
Flash Point: | 236.599 °C |
PSA: | 80.39000 |
LogP: | 2.57230 |
The CAS register number of D-4-Benzoylphenylalanine is 201466-03-7. It also can be called as D-Phenylalanine,4-benzoyl- and the systematic name about this chemical is (2R)-2-ammonio-3-[4-(phenylcarbonyl)phenyl]propanoate. The molecular formula about this chemical is C16H15NO3 and the molecular weight is 269.29. It belongs to the following product categories, such as Amino Acids; PhenylAlAnine AnAlogs and other AromAtic AlphA Amino Acids; Amino Acid DerivAtives; ChirAl Compound; A-Amino and so on.
Physical properties about D-4-Benzoylphenylalanine are: (1)ACD/LogP: 2.08; (2)ACD/LogD (pH 5.5): -0.42; (3)ACD/LogD (pH 7.4): -0.43; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.02; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 54.37Å2; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 75.28 cm3; (14)Molar Volume: 215.5 cm3; (15)Polarizability: 29.84x10-24cm3; (16)Surface Tension: 56.7 dyne/cm; (17)Enthalpy of Vaporization: 76.87 kJ/mol; (18)Boiling Point: 467.6 °C at 760 mmHg; (19)Vapour Pressure: 1.52E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@@H](Cc1ccc(cc1)C(=O)c2ccccc2)[NH3+]
(2)InChI: InChI=1/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m1/s1
(3)InChIKey: TVIDEEHSOPHZBR-CQSZACIVBZ
(4)Std. InChI: InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m1/s1
(5)Std. InChIKey: TVIDEEHSOPHZBR-CQSZACIVSA-N