4-BORONO-DL-PHENYLALANINE B10 ENRICHED

The Phenylalanine,4-borono-, with CAS registry number 90580-64-6, belongs to the following product category: Boronic Acids. It has the systematic name of 4-(dihydroxyboranyl)-L-phenylalanine. This chemical is a kind of off-white powder. And this chemical should be stored at the temperature of 2-8°C.

Physical properties of Phenylalanine,4-borono-: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.01; (4)ACD/LogD (pH 7.4): -2.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 48 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 52.42 cm³; (15)Molar Volume: 155.1 cm³; (16)Polarizability: 20.78×10^-24cm³; (17)Surface Tension: 64.6 dyne/cm; (18)Enthalpy of Vaporization: 74.61 kJ/mol; (19)Vapour Pressure: 7.39E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Phenylalanine,4-borono- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)Cc1ccc(cc1)B(O)O
(2)InChI: InChI=1/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
(3)InChIKey: NFIVJOSXJDORSP-QMMMGPOBBD
(4)Std. InChI: InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
(5)Std. InChIKey: NFIVJOSXJDORSP-QMMMGPOBSA-N