Found 3 results

Search term: BQSAGDWOHVQNFB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-penten-1-yl 3-acetoxy-3-methylbutanoate | C23H26O8

(1R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-penten-1-yl 3-acetoxy-3-methylbutanoate

  • Molecular FormulaC23H26O8
  • Average mass430.448 Da
  • Monoisotopic mass430.162781 Da
  • ChemSpider ID110803677

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-penten-1-yl 3-acetoxy-3-methylbutanoate [ACD/IUPAC Name]
(1R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalinyl)-4-methyl-3-penten-1-yl-3-acetoxy-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Acétoxy-3-méthylbutanoate de (1R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-2-naphtalényl)-4-méthyl-3-pentén-1-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3-(acetyloxy)-3-methyl-, (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-penten-1-yl ester [ACD/Index 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: 583.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 196.5±23.6 °C
Index of Refraction: 1.572
Molar Refractivity: 110.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3574.63
ACD/KOC (pH 5.5): 11982.40
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 652.65
ACD/KOC (pH 7.4): 2187.71
Polar Surface Area: 127 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 335.0±3.0 cm3

Click to predict properties on the Chemicalize site


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