ChemSpider 2D Image | 4-{4-[({[(9aS)-8-Acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]-2-naphthyl}butanoic acid | C32H29NO9

4-{4-[({[(9aS)-8-Acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]-2-naphthyl}butanoic acid

  • Molecular FormulaC32H29NO9
  • Average mass571.574 Da
  • Monoisotopic mass571.184204 Da
  • ChemSpider ID28480854

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Naphthalenebutanoic acid, 4-[[[[(9aS)-8-acetyl-9,9a-dihydro-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-4-dibenzofuranyl]carbonyl]amino]methyl]- [ACD/Index Name]
4-{4-[({[(9aS)-8-Acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]-2-naphthyl}butanoic acid [ACD/IUPAC Name]
4-{4-[({[(9aS)-8-Acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]-2-naphthyl}butansäure [German] [ACD/IUPAC Name]
4-{4-[({[(9as)-8-Acetyl-1,7-Dihydroxy-3-Methoxy-9a-Methyl-9-Oxo-9,9a-Dihydrodibenzo[b,D]furan-4-Yl]carbonyl}amino)methyl]naphthalen-2-Yl}butanoic Acid
Acide 4-{4-[({[(9aS)-8-acétyl-1,7-dihydroxy-3-méthoxy-9a-méthyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)méthyl]-2-naphtyl}butanoïque [French] [ACD/IUPAC Name]
24L

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

Density: 1.5±0.1 g/cm3
Boiling Point: 794.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 434.5±32.9 °C
Index of Refraction: 1.701
Molar Refractivity: 150.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 1.87
ACD/KOC (pH 5.5): 15.70
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 78.6±5.0 dyne/cm
Molar Volume: 388.4±5.0 cm3

Click to predict properties on the Chemicalize site


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