ChemSpider 2D Image | 2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-5-methyltetrahydro-2H- pyran-2-yl)butanoic acid | C42H70O11

2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-5-methyltetrahydro-2H- pyran-2-yl)butanoic acid

  • Molecular FormulaC42H70O11
  • Average mass750.999 Da
  • Monoisotopic mass750.491821 Da
  • ChemSpider ID4967

More details:

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

2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-5-methyltetrahydro-2H- pyran-2-yl)butanoic acid [ACD/IUPAC Name]
2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-5-methyltetrahydro-2H- pyran-2-yl)butansäure [German] [ACD/IUPAC Name]
2H-Pyran-2-acetic acid, α-ethyl-6-[5-[2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4- oxoheptyl]tetrahydro-5-methyl- [ACD/Index Name]
Acide 2-(6-{6-[2-(5-éthyl-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-triméthyl-1,6,8-trioxadispiro[4.1.5.3]pentadéc-13-én-9-yl]-3-hydroxy-4-méthyl-5-oxo-2-octanyl}-5-méthyltétrahyd ro-2H-pyran-2-yl)butanoïque [French] [ACD/IUPAC Name]
(2R)-2-{(5S,6R)-6-[(2S,3S,4S,6R)-6-{(2S,5R,7S,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ETHYL-5-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]-15-HYDROXY-2,10,12-TRIMETHYL-1,6,8-TRIOXADISPIRO[4.1.5.3]PENTADEC-13-EN-9-YL}-3-HYDROXY-4-METHYL-5-OXOOCTAN-2-YL]-5-METHYLTETRA
572-84-9 [RN]
Procoxacin
Salinomycin [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 839.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.7±6.0 kJ/mol
Flash Point: 243.2±27.8 °C
Index of Refraction: 1.547
Molar Refractivity: 201.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 908.32
ACD/KOC (pH 5.5): 2126.30
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 14.60
ACD/KOC (pH 7.4): 34.17
Polar Surface Area: 161 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 633.5±5.0 cm3

Click to predict properties on the Chemicalize site


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