ChemSpider 2D Image | (5S,6S)-6-[(1E,3E,5S,7E,9E,11R,13S,14S,15S,17E)-14,19-Dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxo-1,3,7,9,17-nonadecapentaen-1-yl]-5-methyl-5,6-dihydro-2H-pyran-2-one | C32H48O5

(5S,6S)-6-[(1E,3E,5S,7E,9E,11R,13S,14S,15S,17E)-14,19-Dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxo-1,3,7,9,17-nonadecapentaen-1-yl]-5-methyl-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC32H48O5
  • Average mass512.721 Da
  • Monoisotopic mass512.350159 Da
  • ChemSpider ID59701070

  • 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

(5S,6S)-6-[(1E,3E,5S,7E,9E,11R,13S,14S,15S,17E)-14,19-Dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxo-1,3,7,9,17-nonadecapentaen-1-yl]-5-methyl-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(5S,6S)-6-[(1E,3E,5S,7E,9E,11R,13S,14S,15S,17E)-14,19-Dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxo-1,3,7,9,17-nonadecapentaen-1-yl]-5-methyl-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(5S,6S)-6-[(1E,3E,5S,7E,9E,11R,13S,14S,15S,17E)-14,19-Dihydroxy-3,5,9,11,13,15,17-heptaméthyl-12-oxo-1,3,7,9,17-nonadécapentaén-1-yl]-5-méthyl-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[(1E,3E,5S,7E,9E,11R,13S,14S,15S,17E)-14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxo-1,3,7,9,17-nonadecapentaen-1-yl]-5,6-dihydro-5-methyl-, (5S,6S)- [ACD/Index Name]
Reductoleptomycin A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 680.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.2±6.0 kJ/mol
Flash Point: 210.6±25.0 °C
Index of Refraction: 1.540
Molar Refractivity: 154.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4430.33
ACD/KOC (pH 5.5): 14181.17
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4430.33
ACD/KOC (pH 7.4): 14181.17
Polar Surface Area: 84 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 490.7±3.0 cm3

Click to predict properties on the Chemicalize site


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