ChemSpider 2D Image | 2-Hydroxy-2-[(2S,4S)-2,4,5,12-tetrahydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl]ethyl valerate | C26H28O10

2-Hydroxy-2-[(2S,4S)-2,4,5,12-tetrahydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl]ethyl valerate

  • Molecular FormulaC26H28O10
  • Average mass500.495 Da
  • Monoisotopic mass500.168243 Da
  • ChemSpider ID8159032

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-Hydroxy-2-[(2S,4S)-2,4,5,12-tetrahydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl]ethyl valerate [ACD/IUPAC Name]
2-Hydroxy-2-[(2S,4S)-2,4,5,12-tetrahydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl]ethylvalerat [German] [ACD/IUPAC Name]
Pentanoic acid, 2-[(2S,4S)-1,2,3,4,6,11-hexahydro-2,4,5,12-tetrahydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-hydroxyethyl ester [ACD/Index Name]
Valérate de 2-hydroxy-2-[(2S,4S)-2,4,5,12-tétrahydroxy-7-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tétracényl]éthyle [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: 754.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 254.9±26.4 °C
Index of Refraction: 1.659
Molar Refractivity: 124.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 343.75
ACD/KOC (pH 5.5): 2265.39
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 153.19
ACD/KOC (pH 7.4): 1009.56
Polar Surface Area: 171 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 76.5±3.0 dyne/cm
Molar Volume: 338.3±3.0 cm3

Click to predict properties on the Chemicalize site


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