Found 1178 results

Search term: MF = 'C_{27}H_{33}NO_{6}'
ChemSpider 2D Image | trans-4-[({3-[5-Methyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoyl}amino)methyl]cyclohexanecarboxylic acid | C27H33NO6

trans-4-[({3-[5-Methyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoyl}amino)methyl]cyclohexanecarboxylic acid

  • Molecular FormulaC27H33NO6
  • Average mass467.554 Da
  • Monoisotopic mass467.230774 Da
  • ChemSpider ID21834648

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide trans-4-[({3-[5-méthyl-3-(2-méthyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromén-6-yl]propanoyl}amino)méthyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[3-[3-(1,1-dimethylethyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]-1-oxopropyl]amino]methyl]-, trans- [ACD/Index Name]
trans-4-[({3-[5-Methyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoyl}amino)methyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-[({3-[5-Methyl-3-(2-methyl-2-propanyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoyl}amino)methyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
4-({3-[6-(tert-butyl)-4-methyl-2-oxofurano[3,2-g]chromen-3-yl]propanoylamino}methyl)cyclohexanecarboxylic acid
4-{[3-(3-tert-Butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-propionylamino]-methyl}-cyclohexanecarboxylic acid
trans-4-({[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}methyl)cyclohexanecarboxylic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 704.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 379.8±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 127.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 599.59
ACD/KOC (pH 5.5): 2069.70
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 9.73
ACD/KOC (pH 7.4): 33.60
Polar Surface Area: 106 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 387.9±3.0 cm3

Click to predict properties on the Chemicalize site


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