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

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

  • Molecular FormulaC31H33N3O11
  • Average mass623.607 Da
  • Monoisotopic mass623.211487 Da
  • ChemSpider ID21865811

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S)-2-{[(1E)-1-[(3R,4R,5S)-3-Acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-yliden]-2-{[(1Z)-1-hydroxy-3-oxo-1-buten-2-yl]amino}-2-oxoethyl]amino}-1-[(2S)-2-methyl-2-oxiranyl]-2-oxoethyl-3-methoxy-5-meth yl-1-naphthoat [German] [ACD/IUPAC Name]
(1S)-2-{[(1E)-1-[(3R,4R,5S)-3-Acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-{[(1Z)-1-hydroxy-3-oxo-1-buten-2-yl]amino}-2-oxoethyl]amino}-1-[(2S)-2-methyl-2-oxiranyl]-2-oxoethyl 3-methoxy-5-met hyl-1-naphthoate [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 3-methoxy-5-methyl-, (1S)-2-[[(1E)-1-[(3R,4R,5S)-3-(acetyloxy)-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-[[(1Z)-1-(hydroxymethylene)-2-oxopropyl]amino]-2-oxoethyl]ami no]-1-[(2S)-2-methyloxiranyl]-2-oxoethyl ester [ACD/Index Name]
3-Méthoxy-5-méthyl-1-naphtoate de (1S)-2-{[(1E)-1-[(3R,4R,5S)-3-acétoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidène]-2-{[(1Z)-1-hydroxy-3-oxo-1-butén-2-yl]amino}-2-oxoéthyl]amino}-1-[(2S)-2-méthyl-2-ox iranyl]-2-oxoéthyle [French] [ACD/IUPAC Name]
(1S)-2-{[(1E)-1-[(3R,4R,5S)-3-(acetyloxy)-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-{[(1Z)-1-(hydroxymethylidene)-2-oxopropyl]amino}-2-oxoethyl]amino}-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl 3-met
(1S)-2-{[(1E)-1-[(3R,4R,5S)-3-(acetyloxy)-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-{[(1Z)-1-(hydroxymethylidene)-2-oxopropyl]amino}-2-oxoethyl]amino}-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl 3-methoxy-5-methylnaphthalene-1-carboxylate
(1S)-2-{[(1E)-1-[(3R,4R,5S)-3-(acetyloxy)-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-{[(1Z)-1-hydroxy-3-oxobut-1-en-2-yl]amino}-2-oxoethyl]amino}-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl 3-methoxy-5-methylnaphthalene-1-carboxylate
1-naphthalenecarboxylic acid, 3-methoxy-5-methyl-, (1S)-2-[[(1E)-1-[(3R,4R,5S)-3-(acetyloxy)-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-[[(1Z)-1-(hydroxymethylene)-2-oxopropyl]amino]-2-oxoethyl]amino]-1-[(2S)-2-methyloxiranyl]-2-oxoethyl ester
9537192 [Beilstein]
azinomycin B
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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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