ChemSpider 2D Image | (11E,13Z)-6-{[4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-ethyl-4-hydroxy-5-methoxy-9,16-dimethyloxacyclohexadeca-11,13-diene-2,10-dione (non-preferred name) | C28H47NO8

(11E,13Z)-6-{[4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-ethyl-4-hydroxy-5-methoxy-9,16-dimethyloxacyclohexadeca-11,13-diene-2,10-dione (non-preferred name)

  • Molecular FormulaC28H47NO8
  • Average mass525.675 Da
  • Monoisotopic mass525.330139 Da
  • ChemSpider ID57487431

  • Double-bond stereo - Double-bond stereo

More details:

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

(11E,13Z)-6-{[4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-ethyl-4-hydroxy-5-methoxy-9,16-dimethyloxacyclohexadeca-11,13-dien-2,10-dion (non-preferred name) [German] [ACD/IUPAC Name]
(11E,13Z)-6-{[4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-ethyl-4-hydroxy-5-methoxy-9,16-dimethyloxacyclohexadeca-11,13-diene-2,10-dione (non-preferred name) [ACD/IUPAC Name]
(11E,13Z)-6-{[4-(Diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-7-éthyl-4-hydroxy-5-méthoxy-9,16-diméthyloxacyclohexadéca-11,13-diène-2,10-dione (non-preferred name) [French] [ACD/IUPAC Name]
5-O-Desosaminylplatenolide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 688.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 370.3±31.5 °C
Index of Refraction: 1.526
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.99
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 8.79
ACD/KOC (pH 7.4): 101.28
Polar Surface Area: 115 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 460.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement