Tylosin phosphateProduct ingredient for Tylosin

Name

Tylosin phosphate

Drug Entry

Tylosin

Tylosin is a bacteriostatic macrolide antibiotic and feed additive used in veterinary medicine. It has a broad spectrum of activity against Gram-positive organisms and a limited range of Gram-negative organisms. Tylosin is produced as a fermentation product of Streptomyces fradiae.

See full entry for Tylosin

Accession Number

DBSALT001662

Structure

Similar Structures

Synonyms

Not Available

UNII

NR75X12AFF

CAS Number

1405-53-4

Weight

Average: 1014.106
Monoisotopic: 1013.496045598

Chemical Formula

C₄₆H₈₀NO₂₁P

InChI Key

NBOODGNJLRRJNA-IAGPQMRQSA-N

InChI

InChI=1S/C46H77NO17.H3O4P/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;1-5(2,3)4/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;(H3,1,2,3,4)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-;/m1./s1

IUPAC Name

2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-{[(2R,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-15-({[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde; phosphoric acid

SMILES

OP(O)(O)=O.[H][C@@]1(C[C@@](C)(O)[C@@H](O)[C@H](C)O1)O[C@@H]1[C@@H](C)O[C@@]([H])(O[C@H]2[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]3OC)[C@@H](CC)OC(=O)C[C@@H](O)[C@@H]2C)[C@H](O)[C@H]1N(C)C

External Links

ChemSpider: 4945090
ChEMBL: CHEMBL1888653

Predicted Properties

Property	Value	Source
Water Solubility	0.211 mg/mL	ALOGPS
logP	1.46	ALOGPS
logP	2.32	Chemaxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	12.45	Chemaxon
pKa (Strongest Basic)	8.43	Chemaxon
Physiological Charge	1	Chemaxon
Hydrogen Acceptor Count	17	Chemaxon
Hydrogen Donor Count	5	Chemaxon
Polar Surface Area	238.67 Å²	Chemaxon
Rotatable Bond Count	13	Chemaxon
Refractivity	232.21 m³·mol^-1	Chemaxon
Polarizability	97.51 Å³	Chemaxon
Number of Rings	4	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Tylosin phosphateProduct ingredient for Tylosin

Structure for Tylosin phosphate (DBSALT001662)