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Search term: 28285091 (Found by CSID)
ChemSpider 2D Image | 7-Hydroxy-2-(2-hydroxyethyl)-6-(3-methyl-2-buten-1-yl)-3-oxo-2,3-dihydro-1H-isoindol-5-yl 2,4-dihydroxy-6-methylbenzoate | C23H25NO7

7-Hydroxy-2-(2-hydroxyethyl)-6-(3-methyl-2-buten-1-yl)-3-oxo-2,3-dihydro-1H-isoindol-5-yl 2,4-dihydroxy-6-methylbenzoate

  • Molecular FormulaC23H25NO7
  • Average mass427.447 Da
  • Monoisotopic mass427.163116 Da
  • ChemSpider ID28285091

More details:

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

2,4-Dihydroxy-6-méthylbenzoate de 7-hydroxy-2-(2-hydroxyéthyl)-6-(3-méthyl-2-butén-1-yl)-3-oxo-2,3-dihydro-1H-isoindol-5-yle [French] [ACD/IUPAC Name]
7-Hydroxy-2-(2-hydroxyethyl)-6-(3-methyl-2-buten-1-yl)-3-oxo-2,3-dihydro-1H-isoindol-5-yl 2,4-dihydroxy-6-methylbenzoate [ACD/IUPAC Name]
7-Hydroxy-2-(2-hydroxyethyl)-6-(3-methyl-2-buten-1-yl)-3-oxo-2,3-dihydro-1H-isoindol-5-yl-2,4-dihydroxy-6-methylbenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2,4-dihydroxy-6-methyl-, 2,3-dihydro-7-hydroxy-2-(2-hydroxyethyl)-6-(3-methyl-2-buten-1-yl)-3-oxo-1H-isoindol-5-yl ester [ACD/Index Name]
sterenin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 735.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 398.8±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 154.76
ACD/KOC (pH 5.5): 1278.97
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 62.52
ACD/KOC (pH 7.4): 516.70
Polar Surface Area: 128 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 311.9±3.0 cm3

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