ChemSpider 2D Image | 2-Hydroxy-6-[4-({2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoyl}oxy)-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoic acid | C34H30O15

2-Hydroxy-6-[4-({2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoyl}oxy)-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoic acid

  • Molecular FormulaC34H30O15
  • Average mass678.593 Da
  • Monoisotopic mass678.158447 Da
  • ChemSpider ID24713512

More details:

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

2-Hydroxy-6-[4-({2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoyl}oxy)-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoesäure [German] [ACD/IUPAC Name]
2-Hydroxy-6-[4-({2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoyl}oxy)-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoic acid [ACD/IUPAC Name]
Acide 2-hydroxy-6-[4-({2-hydroxy-6-[4-hydroxy-2-méthoxy-6-(méthoxycarbonyl)phénoxy]-4-méthylbenzoyl}oxy)-2-méthoxy-6-(méthoxycarbonyl)phénoxy]-4-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(2-carboxy-3-hydroxy-5-methylphenoxy)-5-[[2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoyl]oxy]-3-methoxy-, 1-methyl ester [ACD/Index Name]
GEOMYCIN B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL507425/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 820.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 258.1±27.8 °C
Index of Refraction: 1.629
Molar Refractivity: 169.9±0.3 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 8.21
ACD/KOC (pH 5.5): 21.54
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 2.14
ACD/KOC (pH 7.4): 5.63
Polar Surface Area: 214 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 478.2±3.0 cm3

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