ChemSpider 2D Image | 6-(3,4-Dihydroxybenzyl)-9,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy-2H-benzo[a]xanthen-2-one | C33H26O10

6-(3,4-Dihydroxybenzyl)-9,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy-2H-benzo[a]xanthen-2-one

  • Molecular FormulaC33H26O10
  • Average mass582.554 Da
  • Monoisotopic mass582.152588 Da
  • ChemSpider ID4590291

More details:

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

2H-Benzo[a]xanthen-2-one, 6-[(3,4-dihydroxyphenyl)methyl]-9,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy- [ACD/Index Name]
6-(3,4-Dihydroxybenzyl)-9,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy-2H-benzo[a]xanthen-2-on [German] [ACD/IUPAC Name]
6-(3,4-Dihydroxybenzyl)-9,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy-2H-benzo[a]xanthen-2-one [ACD/IUPAC Name]
6-(3,4-Dihydroxybenzyl)-9,10-dihydroxy-5-(4-hydroxy-2-méthoxyphényl)-1,3-diméthoxy-2H-benzo[a]xanthén-2-one [French] [ACD/IUPAC Name]
38185-48-7 [RN]
6-((3,4-Dihydroxyphenyl)methyl)-2,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy-9H-benzo(a)xanthen-9-one
6-[(3,4-DIHYDROXYPHENYL)METHYL]-2,3-DIHYDROXY-7-(4-HYDROXY-2-METHOXYPHENYL)-9,11-DIMETHOXY-10H-5-OXATETRAPHEN-10-ONE
6-[(3,4-DIHYDROXYPHENYL)METHYL]-2,3-DIHYDROXY-7-(4-HYDROXY-2-METHOXYPHENYL)-9,11-DIMETHOXY-5-OXATETRAPHEN-10-ONE
9H-Benzo(a)xanthen-9-one, 6-((3,4-dihydroxyphenyl)methyl)-2,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy-
Santalin A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1057.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.2±3.0 kJ/mol
Flash Point: 347.9±27.8 °C
Index of Refraction: 1.770
Molar Refractivity: 151.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 298.65
ACD/KOC (pH 5.5): 2057.06
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 283.74
ACD/KOC (pH 7.4): 1954.35
Polar Surface Area: 155 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 91.5±5.0 dyne/cm
Molar Volume: 365.8±5.0 cm3

Click to predict properties on the Chemicalize site


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