ChemSpider 2D Image | Mulberrofuran C | C34H28O9

Mulberrofuran C

  • Molecular FormulaC34H28O9
  • Average mass580.581 Da
  • Monoisotopic mass580.173340 Da
  • ChemSpider ID138307
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

[(1S,2R,6R)-2-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)methanon [German] [ACD/IUPAC Name]
[(1S,2R,6R)-2-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)methanone [ACD/IUPAC Name]
[(1S,2R,6R)-2-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phényl]-6-(2,4-dihydroxyphényl)-4-méthyl-3-cyclohexén-1-yl](2,4-dihydroxyphényl)méthanone [French] [ACD/IUPAC Name]
[(1S,2R,6R)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl](2,4-dihydroxyphenyl)methanone
Methanone, ((1S,2R,6R)-2-(2,6-dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl)-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl)(2,4-dihydroxyphenyl)-
Methanone, [(1S,2R,6R)-2-[2,6-dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)- [ACD/Index Name]
Mulberrofuran C
[(1S,2R,6R)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone
77996-04-4 [RN]
CHEMBL378806
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C08928 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 801.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 438.6±34.3 °C
Index of Refraction: 1.736
Molar Refractivity: 158.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9285.88
ACD/KOC (pH 5.5): 24005.12
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 4681.22
ACD/KOC (pH 7.4): 12101.51
Polar Surface Area: 172 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 394.3±3.0 cm3

Click to predict properties on the Chemicalize site






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