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Substance Name: Tylosin B
RN: 11032-98-7
InChIKey: QRPHLEPFYLNRDA-NLGRAQRVSA-N

Molecular Formula

  • C39-H65-N-O14

Molecular Weight

  • 771.935
 
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Names and Synonyms

Name of Substance

  • Tylosin B

Synonym

  • Desmycosin

Systematic Name

  • Tylosin, 4A-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-

Registry Numbers

CAS Registry Number

  • 11032-98-7

System Generated Number

  • 0011032987

Structure Descriptors

InChI

1S/C39H65NO14/c1-11-29-26(19-50-39-37(49-10)36(48-9)33(46)24(6)52-39)16-20(2)12-13-27(42)21(3)17-25(14-15-41)35(22(4)28(43)18-30(44)53-29)54-38-34(47)31(40(7)8)32(45)23(5)51-38/h12-13,15-16,21-26,28-29,31-39,43,45-47H,11,14,17-19H2,1-10H3/b13-12+,20-16+/t21-,22+,23-,24-,25+,26-,28-,29-,31+,32-,33-,34-,35-,36-,37-,38+,39-/m1/s1

InChIKey

QRPHLEPFYLNRDA-NLGRAQRVSA-N

Smiles

O1[C@@H]([C@H]([C@H](N(C)C)[C@H]([C@@H]1O[C@H]1[C@H](C[C@H](C(C=CC(=C[C@@H]([C@H](OC(C[C@H]([C@@H]1C)O)=O)CC)CO[C@H]1[C@@H]([C@H](OC)[C@@H]([C@H](O1)C)O)OC)C)=O)C)CC=O)O)O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 8.36 (none) 25 EXP
log P (octanol-water) 1 (none)   EXP
Water Solubility 16.5 mg/L 25 EST
Vapor Pressure 1.33E-29 mm Hg 25 EST
Henry's Law Constant 6.34E-33 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.91E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.