Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
D-threo-beta-Methylsulfonylphenylserine ethyl ester |
EINECS | 1308068-626-2 |
CAS No. | 36983-12-7 | Density | 1.31g/cm3 |
PSA | 115.07000 | LogP | 1.79500 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
D-Phenylalanine,b-hydroxy-4-(methylsulfonyl)-,ethyl ester, threo-;D-Phenylalanine, b-hydroxy-4-(methylsulfonyl)-, ethyl ester, (S)-;D-threo-b-Methylsulfonylphenylserine ethylester; |
Article Data | 7 |
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