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171860-41-6

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Basic Information
CAS No.: 171860-41-6
Name: (2S,4S)-3-Benzyloxycarbonyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
Article Data: 15
Molecular Structure:
Molecular Structure of 171860-41-6 ((2S,4S)-3-Benzyloxycarbonyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one)
Formula: C18H17NO4
Molecular Weight: 311.337
Synonyms: 3-Oxazolidinecarboxylicacid, 4-methyl-5-oxo-2-phenyl-, phenylmethyl ester, (2S-cis)-;Benzyl(2S,4S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate;
Density: 1.246 g/cm3
Boiling Point: 509.982 °C at 760 mmHg
Flash Point: 262.228 °C
PSA: 55.84000
LogP: 3.20720
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    (2S,4S)-3-Benzyloxycarbonyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one

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  • (2S,4S) Z-5-OXAZOLIDINONE(2-PH,4-ME)CAS

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    (2S,4S) Z-5-OXAZOLIDINONE(2-PH,4-ME)CAS

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    (2S,4S) Z-5-OXAZOLIDINONE(2-PH,4-ME)CASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The (2S,4S)-3-Benzyloxycarbonyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one is an organic compound with the formula C18H17NO4. The systematic name of this chemical is benzyl (2S,4S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate. With the CAS registry number 171860-41-6, it is also named as 3-oxazolidinecarboxylic acid, 4-methyl-5-oxo-2-phenyl-, phenylmethyl ester, (2S,4S)-. In addition, the molecular weight is 311.33.

The other characteristics of (2S,4S)-3-Benzyloxycarbonyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one can be summarized as: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 30; (6)ACD/BCF (pH 7.4): 30; (7)ACD/KOC (pH 5.5): 398; (8)ACD/KOC (pH 7.4): 398; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 83.728 cm3; (15)Molar Volume: 249.809 cm3; (16)Polarizability: 33.192×10-24 cm3; (17)Surface Tension: 49.213 dyne/cm; (18)Density: 1.246 g/cm3; (19)Flash Point: 262.228 °C; (20)Enthalpy of Vaporization: 78.064 kJ/mol; (21)Boiling Point: 509.982 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(OCc1ccccc1)N2[C@@H](OC(=O)[C@@H]2C)c3ccccc3
2. InChI:InChI=1/C18H17NO4/c1-13-17(20)23-16(15-10-6-3-7-11-15)19(13)18(21)22-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-,16-/m0/s1 
3. InChIKey:USPAXEIEXNCGOJ-BBRMVZONBB
4. Std. InChI:InChI=1S/C18H17NO4/c1-13-17(20)23-16(15-10-6-3-7-11-15)19(13)18(21)22-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-,16-/m0/s1 
5. Std. InChIKey:USPAXEIEXNCGOJ-BBRMVZONSA-N