ChemSpider 2D Image | (3R,4S,4aR,7R,8aR)-7-[(Ethoxycarbonyl)amino]-3-methyl-1-oxododecahydronaphtho[2,3-c]furan-4-carboxylic acid | C17H25NO6

(3R,4S,4aR,7R,8aR)-7-[(Ethoxycarbonyl)amino]-3-methyl-1-oxododecahydronaphtho[2,3-c]furan-4-carboxylic acid

  • Molecular FormulaC17H25NO6
  • Average mass339.384 Da
  • Monoisotopic mass339.168182 Da
  • ChemSpider ID82963620

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(3R,4S,4aR,7R,8aR)-7-[(Ethoxycarbonyl)amino]-3-methyl-1-oxododecahydronaphtho[2,3-c]furan-4-carbonsäure [German] [ACD/IUPAC Name]
(3R,4S,4aR,7R,8aR)-7-[(Ethoxycarbonyl)amino]-3-methyl-1-oxododecahydronaphtho[2,3-c]furan-4-carboxylic acid [ACD/IUPAC Name]
Acide (3R,4S,4aR,7R,8aR)-7-[(éthoxycarbonyl)amino]-3-méthyl-1-oxododécahydronaphto[2,3-c]furane-4-carboxylique [French] [ACD/IUPAC Name]
Naphtho[2,3-c]furan-4-carboxylic acid, 7-[(ethoxycarbonyl)amino]dodecahydro-3-methyl-1-oxo-, (3R,4S,4aR,7R,8aR)- [ACD/Index 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: 570.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 298.6±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 83.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.60
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 264.7±5.0 cm3

Click to predict properties on the Chemicalize site


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