3-Phenyl-L-serine supplier | CasNO.6254-48-4

Name
3-Phenyl-L-serine
EINECS 228-383-1
CAS No. 6254-48-4
Article Data60
CAS DataBase
Density 1.335 g/cm³
Solubility
Melting Point
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 L-Phenylalanine,b-hydroxy-, threo-;Serine,3-phenyl-, L-threo- (8CI);L-threo-3-Phenylserine;L-threo-b-Phenylserine;threo-b-Hydroxy-L-phenylalanine;
PSA 83.55000
LogP 0.83220

3-Phenyl-L-serine Specification

The 3-Phenyl-L-serine, with the CAS registry number 6254-48-4, is also known as L-Threo-phenylserine. It belongs to the product category of Antibiotics. Its EINECS registry number is 228-383-1. This chemical's molecular formula is C₉H₁₁NO₃ and molecular weight is 181.19. Its IUPAC name is called (2S,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid.

Physical properties of 3-Phenyl-L-serine: (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; (20)Vapour Pressure: 4.75E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(C(C(=O)O)N)O
(2)Isomeric SMILES: C1=CC=C(C=C1)[C@H]([C@@H](C(=O)O)N)O
(3)InChI: InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1
(4)InChIKey: VHVGNTVUSQUXPS-JGVFFNPUSA-N

Product Name

3-Phenyl-L-serine

3-Phenyl-L-serine Specification

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