ChemSpider 2D Image | (3R)-5-Amino-3-[(2Z)-2-(3,5-dimethyl-2-oxo-3-cyclohexen-1-ylidene)ethyl]-5-oxopentanoic acid | C15H21NO4

(3R)-5-Amino-3-[(2Z)-2-(3,5-dimethyl-2-oxo-3-cyclohexen-1-ylidene)ethyl]-5-oxopentanoic acid

  • Molecular FormulaC15H21NO4
  • Average mass279.332 Da
  • Monoisotopic mass279.147064 Da
  • ChemSpider ID40256885

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3R)-5-Amino-3-[(2Z)-2-(3,5-dimethyl-2-oxo-3-cyclohexen-1-yliden)ethyl]-5-oxopentansäure [German] [ACD/IUPAC Name]
(3R)-5-Amino-3-[(2Z)-2-(3,5-dimethyl-2-oxo-3-cyclohexen-1-ylidene)ethyl]-5-oxopentanoic acid [ACD/IUPAC Name]
Acide (3R)-5-amino-3-[(2Z)-2-(3,5-diméthyl-2-oxo-3-cyclohexén-1-ylidène)éthyl]-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-amino-3-[(2Z)-2-(3,5-dimethyl-2-oxo-3-cyclohexen-1-ylidene)ethyl]-5-oxo-, (3R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 562.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.4±6.0 kJ/mol
Flash Point: 293.9±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 76.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.32
ACD/LogD (pH 7.4): -2.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 229.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement