Basic information
- Name:
Octadecanoic acid,(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester
- Superlist Name:
- Eusynthomycin
- CAS No.:
16255-48-4
- Molecular Structure:
![Molecular Structure of 16255-48-4 (Octadecanoic acid,(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester)](http://www.lookchem.com/300w/2010/0619/16255-48-4.jpg)
- Formula:
- C29H46Cl2N2O6
- Molecular Weight:
- 589.5913
- Synonyms:
- Octadecanoicacid, (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester(9CI);Octadecanoic acid,2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester,[R-(R*,R*)]-;Stearic acid, a-ester with 2,2-dichloro-N-[b-hydroxy-a-(hydroxymethyl)-p-nitrophenethyl]acetamide(6CI);Stearic acid, a-ester with D-threo-(-)-2,2-dichloro-N-[b-hydroxy-a-(hydroxymethyl)-p-nitrophenethyl]acetamide (8CI);Acetamide,2,2-dichloro-N-[b-hydroxy-a-(hydroxymethyl)-p-nitrophenethyl]-,a-stearate, D-threo-(-)- (8CI);Chloramphenicol stearate;Chloramphenicol stearic acid ester;Eusynthomycin;Levomycetin stearate;Madomicetina;Stearic acid, ester with chloramphenicol;[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] octadecanoate;[R-(R*,R*)]-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl stearate;
- EINECS:
- 240-363-4
- Density:
- 1.151 g/cm3
- Boiling Point:
- 708.6 °C at 760 mmHg
- Flash Point:
- 382.3 °C
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Specification
The Eusynthomycin, with the CAS registry number 16255-48-4 and EINECS registry number 240-363-4, has the systematic name of [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] octadecanoate. And the molecular formula of the chemical is C29H46Cl2N2O6.
The characteristics of Eusynthomycin are as followings: (1)ACD/LogP: 10.10; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.1; (4)ACD/LogD (pH 7.4): 10.1; (5)#H bond acceptors: 8; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 25; (8)Polar Surface Area: 121.45 Å2; (9)Index of Refraction: 1.522; (10)Molar Refractivity: 156.19 cm3; (11)Molar Volume: 511.9 cm3; (12)Polarizability: 61.91×10-24cm3; (13)Surface Tension: 44.1 dyne/cm; (14)Density: 1.151 g/cm3; (15)Flash Point: 382.3 °C; (16)Enthalpy of Vaporization: 108.81 kJ/mol; (17)Boiling Point: 708.6 °C at 760 mmHg; (18)Vapour Pressure: 4.52E-21 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(C(COC(=O)CCCCCCCCCCCCCCCCC)NC(=O)C(Cl)Cl)c1ccc(cc1)N(=O)=O
(2)InChI: InChI=1/C29H46Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)
(3)InChIKey: IDWDXHQLOMJDRU-UHFFFAOYAJ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 7500mg/kg (7500mg/kg) | Farmaco. Scienza e Tecnica. Vol. 7, Pg. 3, 1952. |