Found 64 results

Search term: MF = 'C_{28}H_{43}NO_{6}'
ChemSpider 2D Image | [(3E,5Z,7R,9R,10R,11E,13E,16R)-10-{[(2R,5S,6R)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-3,5,11,13-tetraen-7-yl]acetaldehyde | C28H43NO6

[(3E,5Z,7R,9R,10R,11E,13E,16R)-10-{[(2R,5S,6R)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-3,5,11,13-tetraen-7-yl]acetaldehyde

  • Molecular FormulaC28H43NO6
  • Average mass489.644 Da
  • Monoisotopic mass489.309052 Da
  • ChemSpider ID128438900

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(3E,5Z,7R,9R,10R,11E,13E,16R)-10-{[(2R,5S,6R)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-3,5,11,13-tetraen-7-yl]acetaldehyd [German] [ACD/IUPAC Name]
[(3E,5Z,7R,9R,10R,11E,13E,16R)-10-{[(2R,5S,6R)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-3,5,11,13-tetraen-7-yl]acetaldehyde [ACD/IUPAC Name]
[(3E,5Z,7R,9R,10R,11E,13E,16R)-10-{[(2R,5S,6R)-5-(Diméthylamino)-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-5-méthoxy-9,16-diméthyl-2-oxooxacyclohexadéca-3,5,11,13-tétraén-7-yl]acétaldéhyde [French] [ACD/IUPAC Name]
Oxacyclohexadeca-3,5,11,13-tetraene-7-acetaldehyde, 10-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-5-methoxy-9,16-dimethyl-2-oxo-, (3E,5Z,7R,9R,10R,11E,13E,16R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4462720/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 643.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.1±31.5 °C
Index of Refraction: 1.525
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 8.77
ACD/KOC (pH 7.4): 73.56
Polar Surface Area: 74 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 451.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement