ChemSpider 2D Image | 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-naphthoic acid | C29H23NO9

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-naphthoic acid

  • Molecular FormulaC29H23NO9
  • Average mass529.494 Da
  • Monoisotopic mass529.137268 Da
  • ChemSpider ID28429532

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Naphthalenecarboxylic 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-[({[(9aS)-8-Acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]-2-naphthoesäure [German] [ACD/IUPAC Name]
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-naphthoic acid [ACD/IUPAC Name]
Acide 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-naphtoïque [French] [ACD/IUPAC 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: 762.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 415.0±32.9 °C
Index of Refraction: 1.734
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.39
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 86.0±5.0 dyne/cm
Molar Volume: 340.3±5.0 cm3

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