ChemSpider 2D Image | (2E,4R)-7-(6-Amino-2-hydroxy-3-methyl-5,8-dioxo-5,8-dihydro-1-naphthalenyl)-4-ethyl-7-oxo-2-heptenoic acid | C20H21NO6

(2E,4R)-7-(6-Amino-2-hydroxy-3-methyl-5,8-dioxo-5,8-dihydro-1-naphthalenyl)-4-ethyl-7-oxo-2-heptenoic acid

  • Molecular FormulaC20H21NO6
  • Average mass371.384 Da
  • Monoisotopic mass371.136902 Da
  • ChemSpider ID35516748

  • 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

(2E,4R)-7-(6-Amino-2-hydroxy-3-methyl-5,8-dioxo-5,8-dihydro-1-naphthalenyl)-4-ethyl-7-oxo-2-heptenoic acid [ACD/IUPAC Name]
(2E,4R)-7-(6-Amino-2-hydroxy-3-methyl-5,8-dioxo-5,8-dihydro-1-naphthalinyl)-4-ethyl-7-oxo-2-heptensäure [German] [ACD/IUPAC Name]
2-Heptenoic acid, 7-(6-amino-5,8-dihydro-2-hydroxy-3-methyl-5,8-dioxo-1-naphthalenyl)-4-ethyl-7-oxo-, (2E,4R)- [ACD/Index Name]
Acide (2E,4R)-7-(6-amino-2-hydroxy-3-méthyl-5,8-dioxo-5,8-dihydro-1-naphtalényl)-4-éthyl-7-oxo-2-hepténoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 371.2±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 97.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 2.63
ACD/KOC (pH 5.5): 29.35
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 278.5±3.0 cm3

Click to predict properties on the Chemicalize site


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