ChemSpider 2D Image | (3R,4S,6R,7R,9R,11R,12R,13S,14R)-14-Ethyl-4,6,7,12,13-pentahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione | C21H38O8

(3R,4S,6R,7R,9R,11R,12R,13S,14R)-14-Ethyl-4,6,7,12,13-pentahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione

  • Molecular FormulaC21H38O8
  • Average mass418.522 Da
  • Monoisotopic mass418.256653 Da
  • ChemSpider ID28286996

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3R,4S,6R,7R,9R,11R,12R,13S,14R)-14-Ethyl-4,6,7,12,13-pentahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2,10-dion [German] [ACD/IUPAC Name]
(3R,4S,6R,7R,9R,11R,12R,13S,14R)-14-Ethyl-4,6,7,12,13-pentahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione [ACD/IUPAC Name]
(3R,4S,6R,7R,9R,11R,12R,13S,14R)-14-Éthyl-4,6,7,12,13-pentahydroxy-3,5,7,9,11,13-hexaméthyloxacyclotétradécane-2,10-dione [French] [ACD/IUPAC Name]
erythronolide A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 590.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.1±6.0 kJ/mol
Flash Point: 196.7±23.6 °C
Index of Refraction: 1.488
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.97
ACD/KOC (pH 5.5): 93.34
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.97
ACD/KOC (pH 7.4): 93.34
Polar Surface Area: 145 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 371.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement