ChemSpider 2D Image | Methyl (2E)-4-{4-ethoxy-5-hydroxy-7-methoxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutyl]-9,10-dioxo-9,10-dihydro-2-anthracenyl}-3-methoxy-2-butenoate | C31H34O11

Methyl (2E)-4-{4-ethoxy-5-hydroxy-7-methoxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutyl]-9,10-dioxo-9,10-dihydro-2-anthracenyl}-3-methoxy-2-butenoate

  • Molecular FormulaC31H34O11
  • Average mass582.595 Da
  • Monoisotopic mass582.210083 Da
  • ChemSpider ID8730661

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-{4-Éthoxy-5-hydroxy-7-méthoxy-3-[4-(2-méthyl-1,3-dioxolan-2-yl)-3-oxobutyl]-9,10-dioxo-9,10-dihydro-2-anthracényl}-3-méthoxy-2-buténoate de méthyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 4-[4-ethoxy-9,10-dihydro-5-hydroxy-7-methoxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutyl]-9,10-dioxo-2-anthracenyl]-3-methoxy-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-4-{4-ethoxy-5-hydroxy-7-methoxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutyl]-9,10-dioxo-9,10-dihydro-2-anthracenyl}-3-methoxy-2-butenoate [ACD/IUPAC Name]
Methyl-(2E)-4-{4-ethoxy-5-hydroxy-7-methoxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutyl]-9,10-dioxo-9,10-dihydro-2-anthracenyl}-3-methoxy-2-butenoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 770.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 248.1±26.4 °C
Index of Refraction: 1.571
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 534.49
ACD/KOC (pH 5.5): 2969.87
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 39.84
ACD/KOC (pH 7.4): 221.35
Polar Surface Area: 144 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 452.3±3.0 cm3

Click to predict properties on the Chemicalize site


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