ChemSpider 2D Image | 5'-{[(3S)-3,4-Dimethylpentanoyl]oxy}-3',4,4'',6'-tetrahydroxy-1,1':4',1''-terphenyl-2'-yl 4-hydroxybenzoate | C32H30O9

5'-{[(3S)-3,4-Dimethylpentanoyl]oxy}-3',4,4'',6'-tetrahydroxy-1,1':4',1''-terphenyl-2'-yl 4-hydroxybenzoate

  • Molecular FormulaC32H30O9
  • Average mass558.575 Da
  • Monoisotopic mass558.188965 Da
  • ChemSpider ID553007

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Hydroxybenzoate de 5'-{[(3S)-3,4-diméthylpentanoyl]oxy}-3',4,4'',6'-tétrahydroxy-1,1':4',1''-terphényl-2'-yle [French] [ACD/IUPAC Name]
5'-{[(3S)-3,4-Dimethylpentanoyl]oxy}-3',4,4'',6'-tetrahydroxy-1,1':4',1''-terphenyl-2'-yl 4-hydroxybenzoate [ACD/IUPAC Name]
5'-{[(3S)-3,4-Dimethylpentanoyl]oxy}-3',4,4'',6'-tetrahydroxy-1,1':4',1''-terphenyl-2'-yl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, 5'-[[(3S)-3,4-dimethyl-1-oxopentyl]oxy]-3',4,4'',6'-tetrahydroxy[1,1':4',1''-terphenyl]-2'-yl ester [ACD/Index Name]
4-Hydroxy-benzoic acid 5'-(3,4-dimethyl-pentanoyloxy)-4,3',6',4''-tetrahydroxy-[1,1';4',1'']terphenyl-2'-yl ester
5'-[(3,4-Dimethylpentanoyl)oxy]-3',4,4'',6'-tetrahydroxy-1,1':4',1''-terphenyl-2'-yl 4-hydroxybenzoate [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, 5'-[(3,4-dimethyl-1-oxopentyl)oxy]-3',4,4'',6'-tetrahydroxy[1,1':4',1''-terphenyl]-2'-yl ester [ACD/Index Name]
thelephantin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 797.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 259.3±26.4 °C
Index of Refraction: 1.645
Molar Refractivity: 150.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2672.64
ACD/KOC (pH 5.5): 9808.81
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 702.49
ACD/KOC (pH 7.4): 2578.19
Polar Surface Area: 154 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 416.5±3.0 cm3

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