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

Name
DL-THREO-3-PHENYLSERINE
EINECS
CAS No. 7695-56-9
Article Data23
CAS DataBase
Density 1.335 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 83.55000
LogP 0.83220

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

Product Name

DL-THREO-3-PHENYLSERINE

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

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