(2R,3S)-3-phenylisoserine methyl ester supplier

Name
(2R,3S)-3-phenylisoserine methyl ester
EINECS 1806241-263-5
CAS No. 131968-74-6
Article Data2
CAS DataBase
Density 1.212 g/cm³
Solubility
Melting Point 87-88℃
Formula C₁₀H₁₃NO₃
Boiling Point 343.025 °C at 760 mmHg
Molecular Weight 195.218
Flash Point 161.256 °C
Transport Information
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Molecular Structure
Hazard Symbols
Synonyms (2R,3S)-3-Phenylisoserine methyl ester;Methyl (2R,3S)-3-amino-2-hydroxy-3-phenylpropanoate;
PSA 72.55000
LogP 0.92060

(2R,3S)-3-phenylisoserine methyl ester Specification

The Benzenepropanoic acid, β-amino-α-hydroxy-, methyl ester, (aR,bS)-rel-, with the CAS registry number of 131968-74-6, is also known as (2R,3S)-3-Phenylisoserine methyl ester. Its molecular formula is C₁₀H₁₃NO₃ and molecular weight is 195.21512. What's more, its systematic name is methyl (2R,3S)-3-Amino-2-hydroxy-3-phenylpropanoate.

Physical properties about the Benzenepropanoic acid, β-amino-α-hydroxy-, methyl ester, (aR,bS)-rel- are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 72.55 Å²; (7)Index of Refraction: 1.557; (8)Molar Refractivity: 51.874 cm³; (9)Molar Volume: 161.055 cm³; (10)Surface Tension: 50.805 dyne/cm; (11)Density: 1.212 g/cm³; (12)Flash Point: 161.256 °C; (13)Enthalpy of Vaporization: 61.935 kJ/mol; (14)Boiling Point: 343.025 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)[C@H](O)[C@@H](N)c1ccccc1
(2) InChI: InChI=1/C10H13NO3/c1-14-10(13)9(12)8(11)7-5-3-2-4-6-7/h2-6,8-9,12H,11H2,1H3/t8-,9+/m0/s1
(3) InChIKey: WZPZWAQKLOPJEL-DTWKUNHWBH

Product Name

(2R,3S)-3-phenylisoserine methyl ester

(2R,3S)-3-phenylisoserine methyl ester Specification

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