ChemSpider 2D Image | isorawsonol | C28H22Br4O7

isorawsonol

  • Molecular FormulaC28H22Br4O7
  • Average mass790.086 Da
  • Monoisotopic mass785.809875 Da
  • ChemSpider ID8615720

More details:

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

1,2-Benzenediol, 3-bromo-4-[[5-bromo-2-[(3-bromo-4-hydroxyphenyl)methyl]-3,4-dihydroxyphenyl]methyl]-6-[(3-bromo-4-hydroxyphenyl)methyl]-5-(hydroxymethyl)- [ACD/Index Name]
3-Brom-4-[5-brom-2-(3-brom-4-hydroxybenzyl)-3,4-dihydroxybenzyl]-6-(3-brom-4-hydroxybenzyl)-5-(hydroxymethyl)-1,2-benzoldiol [German] [ACD/IUPAC Name]
3-Bromo-4-[5-bromo-2-(3-bromo-4-hydroxybenzyl)-3,4-dihydroxybenzyl]-6-(3-bromo-4-hydroxybenzyl)-5-(hydroxymethyl)-1,2-benzenediol [ACD/IUPAC Name]
3-Bromo-4-[5-bromo-2-(3-bromo-4-hydroxybenzyl)-3,4-dihydroxybenzyl]-6-(3-bromo-4-hydroxybenzyl)-5-(hydroxyméthyl)-1,2-benzènediol [French] [ACD/IUPAC Name]
isorawsonol
3-bromo-4-[5-bromo-2-(3-bromo-4-hydroxybenzyl)-3,4-dihydroxybenzyl]-6-(3-bromo-4-hydroxybenzyl)-5-(hydroxymethyl)benzene-1,2-diol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL460227/

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

Density: 2.0±0.1 g/cm3
Boiling Point: 839.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.8±3.0 kJ/mol
Flash Point: 461.4±32.9 °C
Index of Refraction: 1.756
Molar Refractivity: 162.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 8.16
ACD/LogD (pH 5.5): 7.25
ACD/BCF (pH 5.5): 190261.22
ACD/KOC (pH 5.5): 208933.83
ACD/LogD (pH 7.4): 7.12
ACD/BCF (pH 7.4): 139897.86
ACD/KOC (pH 7.4): 153627.70
Polar Surface Area: 142 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 79.8±3.0 dyne/cm
Molar Volume: 396.8±3.0 cm3

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