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D-Phenylalanine, b-hydroxy-, (bS)-rel-

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Name

D-Phenylalanine, b-hydroxy-, (bS)-rel-

EINECS N/A
CAS No. 7695-56-9 Density 1.335 g/cm3
PSA 83.55000 LogP 0.83220
Solubility N/A Melting Point 230-232 °C (decomp)
Formula C9H11NO3 Boiling Point 398 °C at 760 mmHg
Molecular Weight 181.191 Flash Point 194.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7695-56-9 (DL-THREO-3-PHENYLSERINE) Hazard Symbols N/A
Synonyms

Phenylalanine,b-hydroxy-, threo-;Serine,3-phenyl-, threo- (8CI);DL-threo-3-Phenylserine;DL-threo-b-Phenylserine;threo-3-Phenyl-DL-serine;threo-3-Phenylserine;threo-DL-b-Phenylserine;threo-b-Hydroxy-DL-phenylalanine;

Article Data 23

D-Phenylalanine, b-hydroxy-, (bS)-rel- Specification

The CAS registry number of D-Phenylalanine, b-hydroxy-, (bS)-rel- is 7695-56-9. It belongs to the product category of Pharmacetical. This chemical is also named as β-Hydroxyphenylalanine. In addition, its molecular formula is C9H11NO3 and molecular weight is 181.19. Its IUPAC name is called 2-amino-3-hydroxy-3-phenylpropanoic acid.

Physical properties about D-Phenylalanine, b-hydroxy-, (bS)-rel- are: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.11; (4)ACD/LogD (pH 7.4): -2.12; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 47.03 cm3; (14)Molar Volume: 135.6 cm3; (15)Surface Tension: 66.3 dyne/cm; (16)Density: 1.335 g/cm3; (17)Flash Point: 194.5 °C; (18)Enthalpy of Vaporization: 68.4 kJ/mol; (19)Boiling Point: 398 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)C(O)c1ccccc1
(2)InChI: InChI=1/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)
(3)InChIKey: VHVGNTVUSQUXPS-UHFFFAOYAD

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