ChemSpider 2D Image | 3-Chloro-2,5,7-trihydroxy-2-[(4E)-2-isopropylidene-5,9-dimethyl-4,8-decadien-1-yl]-3-methyl-2,3-dihydro-1,4-naphthalenedione | C26H33ClO5

3-Chloro-2,5,7-trihydroxy-2-[(4E)-2-isopropylidene-5,9-dimethyl-4,8-decadien-1-yl]-3-methyl-2,3-dihydro-1,4-naphthalenedione

  • Molecular FormulaC26H33ClO5
  • Average mass460.990 Da
  • Monoisotopic mass460.201660 Da
  • ChemSpider ID78435465

More details:

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

1,4-Naphthalenedione, 3-chloro-2-[(4E)-5,9-dimethyl-2-(1-methylethylidene)-4,8-decadien-1-yl]-2,3-dihydro-2,5,7-trihydroxy-3-methyl- [ACD/Index Name]
3-Chlor-2,5,7-trihydroxy-2-[(4E)-2-isopropyliden-5,9-dimethyl-4,8-decadien-1-yl]-3-methyl-2,3-dihydro-1,4-naphthalindion [German] [ACD/IUPAC Name]
3-Chloro-2,5,7-trihydroxy-2-[(4E)-2-isopropylidène-5,9-diméthyl-4,8-décadién-1-yl]-3-méthyl-2,3-dihydro-1,4-naphtalènedione [French] [ACD/IUPAC Name]
3-Chloro-2,5,7-trihydroxy-2-[(4E)-2-isopropylidene-5,9-dimethyl-4,8-decadien-1-yl]-3-methyl-2,3-dihydro-1,4-naphthalenedione [ACD/IUPAC Name]
merochlorin D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 339.6±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 125.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.34
ACD/LogD (pH 5.5): 7.86
ACD/BCF (pH 5.5): 536451.31
ACD/KOC (pH 5.5): 418182.22
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 30443.01
ACD/KOC (pH 7.4): 23731.37
Polar Surface Area: 95 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 373.5±5.0 cm3

Click to predict properties on the Chemicalize site


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