Found 20 results

Search term: MF = 'C_{31}H_{33}N_{3}O_{11}'
ChemSpider 2D Image | (Z)-2-Hydroxy-2-[(E)-(1-{4-hydroxy-3-[(1-hydroxyvinyl)oxy]-1-azabicyclo[3.1.0]hex-2-yl}-2-[(E)-(1-hydroxy-3-oxo-2-butanylidene)amino]-2-oxoethylidene)amino]-1-(2-methyl-2-oxiranyl)vinyl 3-methoxy-5-me thyl-1-naphthoate | C31H33N3O11

(Z)-2-Hydroxy-2-[(E)-(1-{4-hydroxy-3-[(1-hydroxyvinyl)oxy]-1-azabicyclo[3.1.0]hex-2-yl}-2-[(E)-(1-hydroxy-3-oxo-2-butanylidene)amino]-2-oxoethylidene)amino]-1-(2-methyl-2-oxiranyl)vinyl 3-methoxy-5-me thyl-1-naphthoate

  • Molecular FormulaC31H33N3O11
  • Average mass623.607 Da
  • Monoisotopic mass623.211487 Da
  • ChemSpider ID95639380

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-2-Hydroxy-2-[(E)-(1-{4-hydroxy-3-[(1-hydroxyvinyl)oxy]-1-azabicyclo[3.1.0]hex-2-yl}-2-[(E)-(1-hydroxy-3-oxo-2-butanyliden)amino]-2-oxoethyliden)amino]-1-(2-methyl-2-oxiranyl)vinyl-3-methoxy-5-meth yl-1-naphthoat [German] [ACD/IUPAC Name]
(Z)-2-Hydroxy-2-[(E)-(1-{4-hydroxy-3-[(1-hydroxyvinyl)oxy]-1-azabicyclo[3.1.0]hex-2-yl}-2-[(E)-(1-hydroxy-3-oxo-2-butanylidene)amino]-2-oxoethylidene)amino]-1-(2-methyl-2-oxiranyl)vinyl 3-methoxy-5-me thyl-1-naphthoate [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 3-methoxy-5-methyl-, (Z)-2-hydroxy-2-[[(1E)-1-[4-hydroxy-3-[(1-hydroxyethenyl)oxy]-1-azabicyclo[3.1.0]hex-2-yl]-2-[[(1E)-1-(hydroxymethyl)-2-oxopropylidene]amino]-2-oxoet hylidene]amino]-1-(2-methyloxiranyl)ethenyl ester [ACD/Index Name]
3-Méthoxy-5-méthyl-1-naphtoate de (Z)-2-hydroxy-2-[(E)-(1-{4-hydroxy-3-[(1-hydroxyvinyl)oxy]-1-azabicyclo[3.1.0]hex-2-yl}-2-[(E)-(1-hydroxy-3-oxo-2-butanylidène)amino]-2-oxoéthylidène)amino]-1-(2-méth yl-2-oxiranyl)vinyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 857.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.6±3.0 kJ/mol
Flash Point: 472.5±37.1 °C
Index of Refraction: 1.661
Molar Refractivity: 153.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.03
ACD/KOC (pH 5.5): 110.17
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.68
ACD/KOC (pH 7.4): 158.68
Polar Surface Area: 200 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 416.1±7.0 cm3

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