Found 1 result

Search term: 78441498 (Found by CSID)
ChemSpider 2D Image | (7R,8R)-9-(2,6-Dihydroxyphenyl)-8-[(2R)-4-(2,6-dihydroxyphenyl)-4-oxo-2-butanyl]-3,4,6-trihydroxy-7-methyl-7,8-dihydro-1H-phenalen-1-one | C30H26O9

(7R,8R)-9-(2,6-Dihydroxyphenyl)-8-[(2R)-4-(2,6-dihydroxyphenyl)-4-oxo-2-butanyl]-3,4,6-trihydroxy-7-methyl-7,8-dihydro-1H-phenalen-1-one

  • Molecular FormulaC30H26O9
  • Average mass530.522 Da
  • Monoisotopic mass530.157654 Da
  • ChemSpider ID78441498

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(7R,8R)-9-(2,6-Dihydroxyphenyl)-8-[(2R)-4-(2,6-dihydroxyphenyl)-4-oxo-2-butanyl]-3,4,6-trihydroxy-7-methyl-7,8-dihydro-1H-phenalen-1-on [German] [ACD/IUPAC Name]
(7R,8R)-9-(2,6-Dihydroxyphenyl)-8-[(2R)-4-(2,6-dihydroxyphenyl)-4-oxo-2-butanyl]-3,4,6-trihydroxy-7-methyl-7,8-dihydro-1H-phenalen-1-one [ACD/IUPAC Name]
(7R,8R)-9-(2,6-Dihydroxyphényl)-8-[(2R)-4-(2,6-dihydroxyphényl)-4-oxo-2-butanyl]-3,4,6-trihydroxy-7-méthyl-7,8-dihydro-1H-phénalén-1-one [French] [ACD/IUPAC Name]
1H-Phenalen-1-one, 9-(2,6-dihydroxyphenyl)-8-[(1R)-3-(2,6-dihydroxyphenyl)-1-methyl-3-oxopropyl]-7,8-dihydro-3,4,6-trihydroxy-7-methyl-, (7R,8R)- [ACD/Index Name]
(+)-dalmanol C

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

Density: 1.6±0.1 g/cm3
Boiling Point: 809.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 457.1±30.8 °C
Index of Refraction: 1.787
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 9.36
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 773.74
ACD/KOC (pH 5.5): 1552.77
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 8.03
ACD/KOC (pH 7.4): 16.11
Polar Surface Area: 176 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 106.1±5.0 dyne/cm
Molar Volume: 326.0±5.0 cm3

Click to predict properties on the Chemicalize site


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