ChemSpider 2D Image | (3R)-6-Hydroxy-2'-methoxy-2,4'-dioxo-4,6'-dipentylspiro[1-benzofuran-3,1'-cyclohexa[2,5]diene]-5-carboxylic acid | C25H30O7

(3R)-6-Hydroxy-2'-methoxy-2,4'-dioxo-4,6'-dipentylspiro[1-benzofuran-3,1'-cyclohexa[2,5]diene]-5-carboxylic acid

  • Molecular FormulaC25H30O7
  • Average mass442.501 Da
  • Monoisotopic mass442.199158 Da
  • ChemSpider ID34993230

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-6-Hydroxy-2'-methoxy-2,4'-dioxo-4,6'-dipentylspiro[1-benzofuran-3,1'-cyclohexa[2,5]diene]-5-carboxylic acid [ACD/IUPAC Name]
Spiro[benzofuran-3(2H),1'-cyclohexa[2,5]diene]-5-carboxylic acid, 6-hydroxy-2'-methoxy-2,4'-dioxo-4,6'-dipentyl-, (3R)- [ACD/Index Name]
466-34-2 [RN]
PICROLICHENIC ACID
UNII-QH47536275

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

Density: 1.3±0.1 g/cm3
Boiling Point: 629.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 211.2±25.0 °C
Index of Refraction: 1.593
Molar Refractivity: 116.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.09
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 201.48
ACD/KOC (pH 5.5): 206.49
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 172.58
ACD/KOC (pH 7.4): 176.88
Polar Surface Area: 110 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 345.0±5.0 cm3

Click to predict properties on the Chemicalize site


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