ChemSpider 2D Image | Tylvalosin | C53H87NO19

Tylvalosin

  • Molecular FormulaC53H87NO19
  • Average mass1042.253 Da
  • Monoisotopic mass1041.587280 Da
  • ChemSpider ID4945313

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 21 of 21 defined stereocentres

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-{[(6-Deoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy]methyl}-6-({3,6-dideoxy-4-O-[2,6-dideoxy-3-C-methyl-4-O-(3-methylbutanoyl)-α-L-ribo-hexopyranosyl]-3-(dimeth ylamino)-β-D-glucopyranosyl}oxy)-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl acetate [ACD/IUPAC Name]
(4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-{[(6-Desoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy]methyl}-6-({3,6-didesoxy-4-O-[2,6-didesoxy-3-C-methyl-4-O-(3-methylbutanoyl)-α-L-ribo-hexopyranosyl]-3-(dim ethylamino)-β-D-glucopyranosyl}oxy)-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl-acetat [German] [ACD/IUPAC Name]
63409-12-1 [RN]
Acétate de (4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-{[(6-désoxy-2,3-di-O-méthyl-β-D-allopyranosyl)oxy]méthyl}-6-({3,6-didésoxy-4-O-[2,6-didésoxy-3-C-méthyl-4-O-(3-méthylbutanoyl)-α-L-ribo-hexopyrano syl]-3-(diméthylamino)-β-D-glucopyranosyl}oxy)-16-éthyl-5,9,13-triméthyl-2,10-dioxo-7-(2-oxoéthyl)oxacyclohexadéca-11,13-dién-4-yle [French] [ACD/IUPAC Name]
Aivlosin [Trade name]
Oxacyclohexadeca-11,13-diene-7-acetaldehyde, 4-(acetyloxy)-15-[[(6-deoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy]methyl]-6-[[3,6-dideoxy-4-O-[2,6-dideoxy-3-C-methyl-4-O-(3-methyl-1-oxobutyl)-α-L- ribo-hexopyranosyl]-3-(dimethylamino)-β-D-glucopyranosyl]oxy]-16-ethyl-5,9,13-trimethyl-2,10-dioxo-, (4R,5S,6S,7R,9R,11E,13E,15R,16R)- [ACD/Index Name]
Tylosin, 3-acetate 4B-(3-methylbutanoate)
Tylvalosin [USAN]
264-132-2 [EINECS]
3-Acetyl-4''-isovaleryltylosin
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 1005.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 166.2±6.0 kJ/mol
Flash Point: 561.8±34.3 °C
Index of Refraction: 1.534
Molar Refractivity: 266.9±0.4 cm3
#H bond acceptors: 20
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 15.75
ACD/KOC (pH 5.5): 77.90
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 535.26
ACD/KOC (pH 7.4): 2647.26
Polar Surface Area: 251 Å2
Polarizability: 105.8±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 858.2±5.0 cm3

Click to predict properties on the Chemicalize site


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