ChemSpider 2D Image | RHIZOCARPIC ACID | C28H23NO6

RHIZOCARPIC ACID

  • Molecular FormulaC28H23NO6
  • Average mass469.485 Da
  • Monoisotopic mass469.152527 Da
  • ChemSpider ID21470453

  • 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

18463-11-1 [RN]
L-Phenylalanine, N-[(2Z)-2-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)-1-oxo-2-phenylethyl]-, methyl ester [ACD/Index Name]
Methyl N-[(2Z)-2-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)-2-phenylacetyl]-L-phenylalaninate [ACD/IUPAC Name]
Methyl-N-[(2Z)-2-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furanyliden)-2-phenylacetyl]-L-phenylalaninat [German] [ACD/IUPAC Name]
N-[(2Z)-2-(3-Hydroxy-5-oxo-4-phényl-2(5H)-furanylidène)-2-phénylacétyl]-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]
RHIZOCARPIC ACID
METHYL (2S)-2-{2-[(2Z)-3-HYDROXY-5-OXO-4-PHENYLFURAN-2-YLIDENE]-2-PHENYLACETAMIDO}-3-PHENYLPROPANOATE
  • Miscellaneous

    • Compound Source:

      Rhizocarpon spp, Calicium hyperelium; mp 178 C Rudolf Boehm Institute [01505475]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 679.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.5±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 128.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 71.69
ACD/KOC (pH 5.5): 375.10
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 6.46
Polar Surface Area: 102 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 350.9±3.0 cm3

Click to predict properties on the Chemicalize site


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