Found 9 results

Search term: MF = 'C_{31}H_{27}NO_{9}'
ChemSpider 2D Image | 3-{4-[({[(9aS)-8-Acetyl-1-hydroxy-3-methoxy-9a-methyl-7,9-dioxo-7,8,9,9a-tetrahydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]-2-naphthyl}propanoic acid | C31H27NO9

3-{4-[({[(9aS)-8-Acetyl-1-hydroxy-3-methoxy-9a-methyl-7,9-dioxo-7,8,9,9a-tetrahydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]-2-naphthyl}propanoic acid

  • Molecular FormulaC31H27NO9
  • Average mass557.547 Da
  • Monoisotopic mass557.168579 Da
  • ChemSpider ID34893739

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-Naphthalenepropanoic acid, 4-[[[[(9aS)-8-acetyl-7,8,9,9a-tetrahydro-1-hydroxy-3-methoxy-9a-methyl-7,9-dioxo-4-dibenzofuranyl]carbonyl]amino]methyl]- [ACD/Index Name]
3-{4-[({[(9aS)-8-Acetyl-1-hydroxy-3-methoxy-9a-methyl-7,9-dioxo-7,8,9,9a-tetrahydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]-2-naphthyl}propanoic acid [ACD/IUPAC Name]
3-{4-[({[(9aS)-8-Acetyl-1-hydroxy-3-methoxy-9a-methyl-7,9-dioxo-7,8,9,9a-tetrahydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]-2-naphthyl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{4-[({[(9aS)-8-acétyl-1-hydroxy-3-méthoxy-9a-méthyl-7,9-dioxo-7,8,9,9a-tétrahydrodibenzo[b,d]furan-4-yl]carbonyl}amino)méthyl]-2-naphtyl}propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 780.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 425.8±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.24
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 379.5±5.0 cm3

Click to predict properties on the Chemicalize site


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