ChemSpider 2D Image | 2-{[(1E)-1-(3-Acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene)-2-{[(1E)-1-hydroxy-3-oxo-1-buten-2-yl]amino}-2-oxoethyl]amino}-1-(2-methyl-2-oxiranyl)-2-oxoethyl 3-methoxy-5-methyl-1-naphthoate | C31H33N3O11

2-{[(1E)-1-(3-Acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene)-2-{[(1E)-1-hydroxy-3-oxo-1-buten-2-yl]amino}-2-oxoethyl]amino}-1-(2-methyl-2-oxiranyl)-2-oxoethyl 3-methoxy-5-methyl-1-naphthoate

  • Molecular FormulaC31H33N3O11
  • Average mass623.607 Da
  • Monoisotopic mass623.211487 Da
  • ChemSpider ID2300036

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Naphthalenecarboxylic acid, 3-methoxy-5-methyl-, 2-[[(1E)-1-[3-(acetyloxy)-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-[[(1E)-1-(hydroxymethylene)-2-oxopropyl]amino]-2-oxoethyl]amino]-1-(2-methylo xiranyl)-2-oxoethyl ester [ACD/Index Name]
2-{[(1E)-1-(3-Acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-yliden)-2-{[(1E)-1-hydroxy-3-oxo-1-buten-2-yl]amino}-2-oxoethyl]amino}-1-(2-methyl-2-oxiranyl)-2-oxoethyl-3-methoxy-5-methyl-1-naphthoat [German] [ACD/IUPAC Name]
2-{[(1E)-1-(3-Acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene)-2-{[(1E)-1-hydroxy-3-oxo-1-buten-2-yl]amino}-2-oxoethyl]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-(3-acétoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidène)-2-{[(1E)-1-hydroxy-3-oxo-1-butén-2-yl]amino}-2-oxoéthyl]amino}-1-(2-méthyl-2-oxiranyl)-2-oxoéthyle [French] [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 3-methoxy-5-methyl-, 2-((1-(3-(acetyloxy)-4-hydroxy-1-azabicyclo(3.1.0)hex-2-ylidene)-2-((1-(hydroxymethylene)-2-oxopropyl)amino)-2-oxoethyl)amino)-1-(2-methyloxiranyl)-2-oxoethyl ester
azinomycin B

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

BRN 5696947 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 912.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.0±3.0 kJ/mol
Flash Point: 505.6±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 156.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.03
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): -2.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 74.2±5.0 dyne/cm
Molar Volume: 420.5±5.0 cm3

Click to predict properties on the Chemicalize site


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