ChemSpider 2D Image | N-[(2R)-1-Oxo-1-{[(2E,6Z,8Z,10Z,16Z)-3,15,22-trihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl]oxy}-2-propanyl]cyclohexanecarboximidic acid | C36H50N2O7

N-[(2R)-1-Oxo-1-{[(2E,6Z,8Z,10Z,16Z)-3,15,22-trihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl]oxy}-2-propanyl]cyclohexanecarboximidic acid

  • Molecular FormulaC36H50N2O7
  • Average mass622.791 Da
  • Monoisotopic mass622.361816 Da
  • ChemSpider ID57260778

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 5 defined stereocentres

More details:

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

Acide N-[(2R)-1-oxo-1-{[(2E,6Z,8Z,10Z,16Z)-3,15,22-trihydroxy-5-méthoxy-14,16-diméthyl-2-azabicyclo[18.3.1]tétracosa-1(24),2,6,8,10,16,20,22-octaén-13-yl]oxy}-2-propanyl]cyclohexanecarboximidique [French] [ACD/IUPAC Name]
D-Alanine, N-(cyclohexylhydroxymethylene)-, (2E,6Z,8Z,10Z,16Z)-3,15,22-trihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl ester [ACD/Index Name]
N-[(2R)-1-Oxo-1-{[(2E,6Z,8Z,10Z,16Z)-3,15,22-trihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl]oxy}-2-propanyl]cyclohexancarboximidsäure [German] [ACD/IUPAC Name]
N-[(2R)-1-Oxo-1-{[(2E,6Z,8Z,10Z,16Z)-3,15,22-trihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl]oxy}-2-propanyl]cyclohexanecarboximidic acid [ACD/IUPAC Name]
98873-83-7 [RN]
Trienomycin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 810.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 444.1±37.1 °C
Index of Refraction: 1.566
Molar Refractivity: 173.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 2958.30
ACD/KOC (pH 5.5): 9509.64
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2466.20
ACD/KOC (pH 7.4): 7927.77
Polar Surface Area: 141 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 530.7±7.0 cm3

Click to predict properties on the Chemicalize site


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