ChemSpider 2D Image | (3R,4R,5R)-N-(4-Amino-4-oxobutyl)-3-{[(3-fluorophenyl)carbamoyl]amino}-4,5-dihydroxy-1-cyclohexene-1-carboxamide | C18H23FN4O5

(3R,4R,5R)-N-(4-Amino-4-oxobutyl)-3-{[(3-fluorophenyl)carbamoyl]amino}-4,5-dihydroxy-1-cyclohexene-1-carboxamide

  • Molecular FormulaC18H23FN4O5
  • Average mass394.397 Da
  • Monoisotopic mass394.165253 Da
  • ChemSpider ID21387494

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4R,5R)-N-(4-Amino-4-oxobutyl)-3-{[(3-fluorophenyl)carbamoyl]amino}-4,5-dihydroxy-1-cyclohexene-1-carboxamide [ACD/IUPAC Name]
(3R,4R,5R)-N-(4-Amino-4-oxobutyl)-3-{[(3-fluorophényl)carbamoyl]amino}-4,5-dihydroxy-1-cyclohexène-1-carboxamide [French] [ACD/IUPAC Name]
(3R,4R,5R)-N-(4-Amino-4-oxobutyl)-3-{[(3-fluorphenyl)carbamoyl]amino}-4,5-dihydroxy-1-cyclohexen-1-carboxamid [German] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxamide, N-(4-amino-4-oxobutyl)-3-[[[(3-fluorophenyl)amino]carbonyl]amino]-4,5-dihydroxy-, (3R,4R,5R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 716.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.3±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 98.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.44
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.43
Polar Surface Area: 154 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 279.3±5.0 cm3

Click to predict properties on the Chemicalize site


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