ChemSpider 2D Image | (2R,2'R)-1,1'-{1,3,7,9-Tetrahydroxy-4-[(2S)-2-hydroxy-3-methyl-3-buten-1-yl]-8-(3-methyl-2-buten-1-yl)dibenzo[b,d]furan-2,6-diyl}bis(2-methyl-1-butanone) | C32H40O8

(2R,2'R)-1,1'-{1,3,7,9-Tetrahydroxy-4-[(2S)-2-hydroxy-3-methyl-3-buten-1-yl]-8-(3-methyl-2-buten-1-yl)dibenzo[b,d]furan-2,6-diyl}bis(2-methyl-1-butanone)

  • Molecular FormulaC32H40O8
  • Average mass552.655 Da
  • Monoisotopic mass552.272339 Da
  • ChemSpider ID552616

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,2'R)-1,1'-{1,3,7,9-Tetrahydroxy-4-[(2S)-2-hydroxy-3-methyl-3-buten-1-yl]-8-(3-methyl-2-buten-1-yl)dibenzo[b,d]furan-2,6-diyl}bis(2-methyl-1-butanon) [German] [ACD/IUPAC Name]
(2R,2'R)-1,1'-{1,3,7,9-Tetrahydroxy-4-[(2S)-2-hydroxy-3-methyl-3-buten-1-yl]-8-(3-methyl-2-buten-1-yl)dibenzo[b,d]furan-2,6-diyl}bis(2-methyl-1-butanone) [ACD/IUPAC Name]
(2R,2'R)-1,1'-{1,3,7,9-Tétrahydroxy-4-[(2S)-2-hydroxy-3-méthyl-3-butén-1-yl]-8-(3-méthyl-2-butén-1-yl)dibenzo[b,d]furane-2,6-diyl}bis(2-méthyl-1-butanone) [French] [ACD/IUPAC Name]
1-Butanone, 1,1'-[1,3,7,9-tetrahydroxy-4-[(2S)-2-hydroxy-3-methyl-3-buten-1-yl]-8-(3-methyl-2-buten-1-yl)-2,6-dibenzofurandiyl]bis[2-methyl-, (2R,2'R)- [ACD/Index Name]
1,1'-[1,3,7,9-Tetrahydroxy-4-(2-hydroxy-3-methylbut-3-en-1-yl)-8-(3-methylbut-2-en-1-yl)dibenzo[b,d]furan-2,6-diyl]bis(2-methylbutan-1-one)
1-butanone, 1,1'-[1,3,7,9-tetrahydroxy-4-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-2,6-dibenzofurandiyl]bis[2-methyl-
2-Methyl-1-[1,3,7,9-tetrahydroxy-6-(2-hydroxy-3-methyl-but-3-enyl)-2-(3-methyl-but-2-enyl)-8-(2-methyl-butyryl)-dibenzofuran-4-yl]-butan-1-one
achyrofuran

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

Density: 1.2±0.1 g/cm3
Boiling Point: 742.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 402.6±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 157.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 9.05
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 219075.50
ACD/KOC (pH 5.5): 230393.97
ACD/LogD (pH 7.4): 6.98
ACD/BCF (pH 7.4): 96489.57
ACD/KOC (pH 7.4): 101474.67
Polar Surface Area: 148 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 447.9±3.0 cm3

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