ChemSpider 2D Image | 2-Hydroxy-4-{6-[5-(hydroxymethyl)-2-furyl]-9-methyl-1,3,7,10-tetraoxo-1,3,3a,4,6,7,10,11,11a,11b-decahydro-2H-naphtho[2,3-e]isoindol-2-yl}benzoic acid | C29H23NO9

2-Hydroxy-4-{6-[5-(hydroxymethyl)-2-furyl]-9-methyl-1,3,7,10-tetraoxo-1,3,3a,4,6,7,10,11,11a,11b-decahydro-2H-naphtho[2,3-e]isoindol-2-yl}benzoic acid

  • Molecular FormulaC29H23NO9
  • Average mass529.494 Da
  • Monoisotopic mass529.137268 Da
  • ChemSpider ID3440234

More details:

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

2-Hydroxy-4-{6-[5-(hydroxymethyl)-2-furyl]-9-methyl-1,3,7,10-tetraoxo-1,3,3a,4,6,7,10,11,11a,11b-decahydro-2H-naphtho[2,3-e]isoindol-2-yl}benzoesäure [German] [ACD/IUPAC Name]
2-Hydroxy-4-{6-[5-(hydroxymethyl)-2-furyl]-9-methyl-1,3,7,10-tetraoxo-1,3,3a,4,6,7,10,11,11a,11b-decahydro-2H-naphtho[2,3-e]isoindol-2-yl}benzoic acid [ACD/IUPAC Name]
Acide 2-hydroxy-4-{6-[5-(hydroxyméthyl)-2-furyl]-9-méthyl-1,3,7,10-tétraoxo-1,3,3a,4,6,7,10,11,11a,11b-décahydro-2H-naphto[2,3-e]isoindol-2-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1,3,3a,4,6,7,10,11,11a,11b-decahydro-6-[5-(hydroxymethyl)-2-furanyl]-9-methyl-1,3,7,10-tetraoxo-2H-naphth[2,3-e]isoindol-2-yl]-2-hydroxy- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 887.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.1±3.0 kJ/mol
Flash Point: 490.4±34.3 °C
Index of Refraction: 1.732
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.05
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 90.2±5.0 dyne/cm
Molar Volume: 328.9±5.0 cm3

Click to predict properties on the Chemicalize site


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