D-threo-beta-Methylsulfonylphenylserine ethyl ester supplier

Name
D-P-METHYL SULFONE PHENYL ETHYL SERINATE
EINECS 1308068-626-2
CAS No. 36983-12-7
Article Data7
CAS DataBase
Density 1.31g/cm³
Solubility
Melting Point 135-137°C
Formula C₁₂H₁₇NO₅S
Boiling Point 514.95 °C at 760 mmHg
Molecular Weight 287.337
Flash Point 265.233 °C
Transport Information
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms D-Phenylalanine,b-hydroxy-4-(methylsulfonyl)-,ethyl ester, threo-;D-Phenylalanine, b-hydroxy-4-(methylsulfonyl)-, ethyl ester, (S)-;D-threo-b-Methylsulfonylphenylserine ethylester;
PSA 115.07000
LogP 1.79500

D-threo-beta-Methylsulfonylphenylserine ethyl ester Specification

The D-Phenylalanine, b-hydroxy-4-(methylsulfonyl)-,ethyl ester, (bS)-, with CAS registry number 36983-12-7, belongs to the following product categories: (1)Intermediates; (2)Intermediates & Fine Chemicals; (3)Pharmaceuticals. It has the systematic name of ethyl (betaS)-β-hydroxy-4-(methylsulfonyl)-D-phenylalaninate. This chemical is a kind of white solid.

Physical properties of D-Phenylalanine, b-hydroxy-4-(methylsulfonyl)-,ethyl ester, (bS)-: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 115.07 Å²; (7)Index of Refraction: 1.554; (8)Molar Refractivity: 70.317 cm³; (9)Molar Volume: 219.339 cm³; (10)Polarizability: 27.876×10^-24cm³; (11)Surface Tension: 52.384 dyne/cm; (12)Enthalpy of Vaporization: 82.828 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)[C@H](N)[C@@H](O)c1ccc(cc1)S(=O)(=O)C
(2)InChI: InChI=1/C12H17NO5S/c1-3-18-12(15)10(13)11(14)8-4-6-9(7-5-8)19(2,16)17/h4-7,10-11,14H,3,13H2,1-2H3/t10-,11+/m1/s1
(3)InChIKey: CEEHCOWSYFANRT-MNOVXSKEBS
(4)Std. InChI: InChI=1S/C12H17NO5S/c1-3-18-12(15)10(13)11(14)8-4-6-9(7-5-8)19(2,16)17/h4-7,10-11,14H,3,13H2,1-2H3/t10-,11+/m1/s1
(5)Std. InChIKey: CEEHCOWSYFANRT-MNOVXSKESA-N

Product Name

D-P-METHYL SULFONE PHENYL ETHYL SERINATE

D-threo-beta-Methylsulfonylphenylserine ethyl ester Specification

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