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Basic Information

Molecular Structure:
CAS No.:	137330-13-3
Name:	Tilmicosin phosphate

Formula:	C₄₆H₈₃N₂O₁₇P
Molecular Weight:	967.142
Synonyms:	Tylosin,4A-O-de(2,6-dideoxy-3-C-methyl-a-L-ribo-hexopyranosyl)-20-deoxo-20-(3,5-dimethyl-1-piperidinyl)-,[20(cis)]-, phosphate (1:1) (salt);[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-Dideoxy-3-(dimethylamino)-beta-D-glucopyranosyl]oxy}-11-{2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxooxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside phosphate (1:1);oxacyclohexadeca-11,13-diene-2,10-dione, 15-[[(6-deoxy-2,3-di-O-methyl-beta-D-allopyranosyl)oxy]methyl]-6-[[3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranosyl]oxy]-7-[2-[(3R,5S)-3,5-dimethyl-1-piperidinyl]ethyl]-16-ethyl-4-hydroxy-5,9,13-trimethyl-, (4R,5S,6S,7R,9R,11E,13E,15R,16R)-, phosphate (1:1) (salt);Tylosin, 4(sup A)-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-;
EINECS:	641-061-9
Density:	1.219 g/cm³
Boiling Point:	926.6 °C at 760 mmHg
Flash Point:	514.2 °C
Appearance:	light yellow powder
PSA:	273.72000
LogP:	2.35070

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Chemistry

Molecular Structure of Tilmicosin phosphate (CAS NO.137330-13-3):

IUPAC Name: (2E,4E,6R,7R,12S,13S,14R,16R)-13-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-14-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-7-ethyl-11-hydroxy-6-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-
6-methyloxan-2-yl]oxymethyl]-4,12,16-trimethyl-8-oxacyclohexadeca-2,4-diene-1,9-dione; phosphoric acid
CAS: 137330-13-3
Empirical Formula: C₄₆H₈₃N₂O₁₇P
Molecular Weight: 967.1282
H bond acceptors: 15
H bond donors: 4
Freely Rotating Bonds: 16
Polar Surface Area: 142.15Å²
Flash Point: 514.2 °C
Enthalpy of Vaporization: 152.95 kJ/mol
Boiling Point: 926.6 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
InChI
InChI=1/C20H22N2O4/c1-12-5-6-15-10-16-9-14(7-8-17(16)26-19(15)21-12)13(2)20(24)25-11-18(23)22(3)4/h5-9,13H,10-11H2,1-4H3/t13-/m1/s1
Smiles
O[C@@H]1CC(=O)O[C@H](CC)[C@@H](CO[C@@H]2O[C@@H]([C@H]([C@H]([C@H]2OC)OC)O)C)C=C(C)C=CC([C@@H](C[C@H](CCN2C[C@@H](C[C@@H](C2)C)C)[C@@H](O[C@H]2[C@H](O)[C@H]([C@H](O)[C@H](O2)C)N(C)C)[C@H]1C)C)=O.P(O)(O)(=O)O
Classification Code: Antibacterial [veterinary]

Specification

Tilmicosin phosphate , with CAS number of 137330-13-3, can be called [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-Dideoxy-3-(dimethylamino)-beta-D-glucopyranosyl]oxy}-11-{2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxooxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside phosphate (1:1) ; oxacyclohexadeca-11,13-diene-2,10-dione, 15-[[(6-deoxy-2,3-di-O-methyl-beta-D-allopyranosyl)oxy]methyl]-6-[[3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranosyl]oxy]-7-[2-[(3R,5S)-3,5-dimethyl-1-piperidinyl]ethyl]-16-ethyl-4-hydroxy-5,9,13-trimethyl-, (4R,5S,6S,7R,9R,11E,13E,15R,16R)-, phosphate (1:1) (salt) ; Tylosin, 4(sup A)-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo- ; Tylosin, 4A-O-de(2,6-dideoxy-3-C-methyl-alpha-l-ribo- .