Found 20 results

Search term: MF = 'C_{31}H_{33}N_{3}O_{11}'
ChemSpider 2D Image | (1S)-2-({(1E)-1-[(3R,4R,5S)-3-Acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-[(1,3-dioxo-2-butanyl)amino]-2-oxoethyl}amino)-1-[(2S)-2-methyl-2-oxiranyl]-2-oxoethyl 3-methoxy-5-methyl-1-naphthoa te | C31H33N3O11

(1S)-2-({(1E)-1-[(3R,4R,5S)-3-Acetoxy-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-[(1,3-dioxo-2-butanyl)amino]-2-oxoethyl}amino)-1-[(2S)-2-methyl-2-oxiranyl]-2-oxoethyl 3-methoxy-5-methyl-1-naphthoa te

  • Molecular FormulaC31H33N3O11
  • Average mass623.607 Da
  • Monoisotopic mass623.211487 Da
  • ChemSpider ID57524846

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 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-[(1,3-dioxo-2-butanyl)amino]-2-oxoethyl}amino)-1-[(2S)-2-methyl-2-oxiranyl]-2-oxoethyl-3-methoxy-5-methyl-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-[(1,3-dioxo-2-butanyl)amino]-2-oxoethyl}amino)-1-[(2S)-2-methyl-2-oxiranyl]-2-oxoethyl 3-methoxy-5-methyl-1-naphthoa te [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-[(1-formyl-2-oxopropyl)amino]-2-oxoethyl]amino]-1-[(2S)-2-met hyloxiranyl]-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-[(1,3-dioxo-2-butanyl)amino]-2-oxoéthyl}amino)-1-[(2S)-2-méthyl-2-oxiranyl]-2-oxoé thyle [French] [ACD/IUPAC Name]
106486-76-4 [RN]
azinomycin B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 879.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.9±3.0 kJ/mol
Flash Point: 485.5±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 155.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 6.66
ACD/KOC (pH 5.5): 110.26
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.36
Polar Surface Area: 190 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 427.7±5.0 cm3

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