ChemSpider 2D Image | (1R)-10-Hydroxy-8-[(2R,4S,5R)-5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-1-propyl-1H-benzo[g]isochromene-6,9-dione | C22H24O8

(1R)-10-Hydroxy-8-[(2R,4S,5R)-5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-1-propyl-1H-benzo[g]isochromene-6,9-dione

  • Molecular FormulaC22H24O8
  • Average mass416.421 Da
  • Monoisotopic mass416.147125 Da
  • ChemSpider ID78442883

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R)-10-Hydroxy-8-[(2R,4S,5R)-5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-1-propyl-1H-benzo[g]isochromen-6,9-dion [German] [ACD/IUPAC Name]
(1R)-10-Hydroxy-8-[(2R,4S,5R)-5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-1-propyl-1H-benzo[g]isochromene-6,9-dione [ACD/IUPAC Name]
(1R)-10-Hydroxy-8-[(2R,4S,5R)-5-hydroxy-4-(hydroxyméthyl)-1,3-dioxan-2-yl]-3-méthyl-1-propyl-1H-benzo[g]isochromène-6,9-dione [French] [ACD/IUPAC Name]
1H-Naphtho[2,3-c]pyran-6,9-dione, 10-hydroxy-8-[(2R,4S,5R)-5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-1-propyl-, (1R)- [ACD/Index Name]
Alnumycin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 676.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 237.9±25.0 °C
Index of Refraction: 1.613
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 174.48
ACD/KOC (pH 5.5): 1209.23
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 5.54
ACD/KOC (pH 7.4): 38.42
Polar Surface Area: 123 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 300.0±3.0 cm3

Click to predict properties on the Chemicalize site


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