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111639-04-4
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Basic Information
CAS No.: 111639-04-4
Name: hexadecanoic acid - (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9
Molecular Structure:
Molecular Structure of 111639-04-4 (hexadecanoic acid - (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9)
Formula: C37H67NO13•C16H32O2
Molecular Weight: 990.53
Density: g/cm3
Boiling Point: 818.4°Cat760mmHg
Flash Point: 448.8°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
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Chemistry

IUPAC Name: (2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione ; hexadecanoic acid 
Empirical Formula: C53H99NO15
Molecular Weight: 990.3509g/mol 
H-Bond Donor: 6
H-Bond Acceptor: 16
Rotatable Bond Count: 21
Tautomer Count: 6
Exact Mass: 989.701472
MonoIsotopic Mass: 989.701472
Topological Polar Surface Area: 231
Heavy Atom Count: 69
Formal Charge: 0
Complexity: 1350
Flash Point: 448.8 °C
Enthalpy of Vaporization: 135.4 kJ/mol
Boiling Point: 818.4 °C at 760 mmHg
Vapour Pressure: 4.94E-31 mmHg at 25°C 
Structure of Erythromycin palmitate (CAS NO.111639-04-4):

Toxicity Data With Reference

1.    

orl-mus LD :>1500 mg/kg

     ANTBAL    Antibiotiki. 5 (3)(1960),22.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.

Specification

 Erythromycin palmitate ,  its cas register number is 111639-04-4. When heated to decomposition it emits toxic vapors of NOx. And Erythromycin palmitate (CAS NO.111639-04-4) is moderate toxic by ingestion.