ChemSpider 2D Image | 2-({(1E)-1-[(3R,4R,5S)-3-Acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-oxo-2-[(2-oxopropyl)amino]ethyl}amino)-1-(2-methyl-2-oxiranyl)-2-oxoethyl 3-methoxy-5-methyl-1-naphthoate | C30H33N3O10

2-({(1E)-1-[(3R,4R,5S)-3-Acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-oxo-2-[(2-oxopropyl)amino]ethyl}amino)-1-(2-methyl-2-oxiranyl)-2-oxoethyl 3-methoxy-5-methyl-1-naphthoate

  • Molecular FormulaC30H33N3O10
  • Average mass595.597 Da
  • Monoisotopic mass595.216614 Da
  • ChemSpider ID9932912

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 6 defined stereocentres

More details:

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

1-Naphthalenecarboxylic acid, 3-methoxy-5-methyl-, 2-[[(1E)-1-[(3R,4R,5S)-3-(acetyloxy)-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-oxo-2-[(2-oxopropyl)amino]ethyl]amino]-1-(2-methyloxiranyl)-2-oxoe thyl ester [ACD/Index Name]
2-({(1E)-1-[(3R,4R,5S)-3-Acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-yliden]-2-oxo-2-[(2-oxopropyl)amino]ethyl}amino)-1-(2-methyl-2-oxiranyl)-2-oxoethyl-3-methoxy-5-methyl-1-naphthoat [German] [ACD/IUPAC Name]
2-({(1E)-1-[(3R,4R,5S)-3-Acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-oxo-2-[(2-oxopropyl)amino]ethyl}amino)-1-(2-methyl-2-oxiranyl)-2-oxoethyl 3-methoxy-5-methyl-1-naphthoate [ACD/IUPAC Name]
3-Méthoxy-5-méthyl-1-naphtoate de 2-({(1E)-1-[(3R,4R,5S)-3-acétoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidène]-2-oxo-2-[(2-oxopropyl)amino]éthyl}amino)-1-(2-méthyl-2-oxiranyl)-2-oxoéthyle [French] [ACD/IUPAC Name]
azinomycin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 868.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.3±3.0 kJ/mol
Flash Point: 479.3±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.51
ACD/KOC (pH 5.5): 85.46
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.49
ACD/KOC (pH 7.4): 85.08
Polar Surface Area: 173 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 414.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement