ChemSpider 2D Image | (+)-allo-eleutherin | C16H16O4

(+)-allo-eleutherin

  • Molecular FormulaC16H16O4
  • Average mass272.296 Da
  • Monoisotopic mass272.104858 Da
  • ChemSpider ID28285695

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(+)-allo-eleutherin
(1S,3S)-9-Methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromen-5,10-dion [German] [ACD/IUPAC Name]
(1S,3S)-9-Methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione [ACD/IUPAC Name]
(1S,3S)-9-Méthoxy-1,3-diméthyl-3,4-dihydro-1H-benzo[g]isochromène-5,10-dione [French] [ACD/IUPAC Name]
1078723-14-4 [RN]
1H-Naphtho[2,3-c]pyran-5,10-dione, 3,4-dihydro-9-methoxy-1,3-dimethyl-, (1S,3S)- [ACD/Index Name]
64869-74-5 [RN]
Isoeleutherin
ISOELEUTHERIN, (+)-
ISOELEUTHERIN, (±)-

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

059QL9S53Y [DBID]
0LZK6NO39X [DBID]
UNII:0LZK6NO39X [DBID]
UNII:059QL9S53Y [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 465.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 208.7±28.8 °C
Index of Refraction: 1.581
Molar Refractivity: 72.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.37
ACD/KOC (pH 5.5): 1501.75
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 192.37
ACD/KOC (pH 7.4): 1501.75
Polar Surface Area: 53 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 216.3±5.0 cm3

Click to predict properties on the Chemicalize site


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