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Hexadecanoic acid,2-[(dichloroacetyl)amino]-3-hydroxy-1-[4-(methylsulfonyl)phenyl]propyl ester,[R-(R*,R*)]- (9CI) (52628-58-7)

Identification
Name:Hexadecanoic acid,2-[(dichloroacetyl)amino]-3-hydroxy-1-[4-(methylsulfonyl)phenyl]propyl ester,[R-(R*,R*)]- (9CI)
Synonyms:Thiamphenicolpalmitate;
CAS:52628-58-7
EINECS: 258-056-9
Molecular Formula: C28H45Cl2NO6S
Molecular Weight: 594.631
InChI: InChI=1/C16H32O2.C12H15Cl2NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-15H2,1H3,(H,17,18);2-5,9-11,16-17H,6H2,1H3,(H,15,18)
Molecular Structure: (C28H45Cl2NO6S) Thiamphenicolpalmitate;
Properties
Density:1.168 g/cm3
Specification:

This chemical is called Thiamphenicol palmitate, and its systematic name is (1R,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-[4-(methylsulfonyl)phenyl]propyl hexadecanoate. With the molecular formula of C28H45Cl2NO6S, its molecular weight is 594.63. The CAS registry number of this chemical is 52628-58-7.

Other characteristics of the Thiamphenicol palmitate can be summarised as followings: (1)ACD/LogP: 7.49; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.49; (4)ACD/LogD (pH 7.4): 7.49; (5)ACD/BCF (pH 5.5): 290799.72; (6)ACD/BCF (pH 7.4): 290638.5; (7)ACD/KOC (pH 5.5): 283409.25; (8)ACD/KOC (pH 7.4): 283252.16; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 23; (12)Polar Surface Area: 98.36 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 154.2 cm3; (15)Molar Volume: 508.8 cm3; (16)Polarizability: 61.13×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.168 g/cm3; (19)Flash Point: 390.5 °C; (20)Enthalpy of Vaporization: 110.72 kJ/mol; (21)Boiling Point: 722 °C at 760 mmHg; (22)Vapour Pressure: 6.99E-22 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: ClC(Cl)C(=O)N[C@@H]([C@H](OC(=O)CCCCCCCCCCCCCCC)c1ccc(cc1)S(=O)(=O)C)CO
2.InChI: InChI=1/C28H45Cl2NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(33)37-26(24(21-32)31-28(34)27(29)30)22-17-19-23(20-18-22)38(2,35)36/h17-20,24,26-27,32H,3-16,21H2,1-2H3,(H,31,34)/t24-,26-/m1/s1

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