ChemSpider 2D Image | N-[3-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-4-methoxybenzoyl]glycine | C28H26N2O10

N-[3-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-4-methoxybenzoyl]glycine

  • Molecular FormulaC28H26N2O10
  • Average mass550.513 Da
  • Monoisotopic mass550.158752 Da
  • ChemSpider ID65015329

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Glycine, N-[3-[[(1E)-1-[(9bR)-6-acetyl-3,9b-dihydro-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-2(1H)-dibenzofuranylidene]ethyl]amino]-4-methoxybenzoyl]- [ACD/Index Name]
N-[3-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-yliden]ethyl}amino)-4-methoxybenzoyl]glycin [German] [ACD/IUPAC Name]
N-[3-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-4-methoxybenzoyl]glycine [ACD/IUPAC Name]
N-[3-({(1E)-1-[(9bR)-6-Acétyl-7,9-dihydroxy-8,9b-diméthyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidène]éthyl}amino)-4-méthoxybenzoyl]glycine [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: 850.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 467.9±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.05
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 359.2±5.0 cm3

Click to predict properties on the Chemicalize site


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