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Search term: AXMCRMUBMNEKLN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[3-(2,3-Dihydroxy-3-methylbutoxy)-2-hydroxy-5-methylbenzoyl]-6-hydroxy-3-(3-methyl-2-buten-1-yl)benzaldehyde | C25H30O7

2-[3-(2,3-Dihydroxy-3-methylbutoxy)-2-hydroxy-5-methylbenzoyl]-6-hydroxy-3-(3-methyl-2-buten-1-yl)benzaldehyde

  • Molecular FormulaC25H30O7
  • Average mass442.501 Da
  • Monoisotopic mass442.199158 Da
  • ChemSpider ID24691428

More details:

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2-[3-(2,3-Dihydroxy-3-methylbutoxy)-2-hydroxy-5-methylbenzoyl]-6-hydroxy-3-(3-methyl-2-buten-1-yl)benzaldehyd [German] [ACD/IUPAC Name]
2-[3-(2,3-Dihydroxy-3-methylbutoxy)-2-hydroxy-5-methylbenzoyl]-6-hydroxy-3-(3-methyl-2-buten-1-yl)benzaldehyde [ACD/IUPAC Name]
2-[3-(2,3-Dihydroxy-3-méthylbutoxy)-2-hydroxy-5-méthylbenzoyl]-6-hydroxy-3-(3-méthyl-2-butén-1-yl)benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 2-[3-(2,3-dihydroxy-3-methylbutoxy)-2-hydroxy-5-methylbenzoyl]-6-hydroxy-3-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL457810/
TENELLONE A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 234.3±25.0 °C
Index of Refraction: 1.612
Molar Refractivity: 122.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 853.47
ACD/KOC (pH 5.5): 4312.38
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 142.17
ACD/KOC (pH 7.4): 718.34
Polar Surface Area: 124 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 353.6±3.0 cm3

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