Found 10 results

Search term: MF = 'C_{40}H_{40}O_{9}'
ChemSpider 2D Image | (2E)-1-{3-[(1S,5R,6S)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl}-3-(2,4-dihydroxyphenyl)-2-propen-1-one | C40H40O9

(2E)-1-{3-[(1S,5R,6S)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl}-3-(2,4-dihydroxyphenyl)-2-propen-1-one

  • Molecular FormulaC40H40O9
  • Average mass664.740 Da
  • Monoisotopic mass664.267212 Da
  • ChemSpider ID129183337

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E)-1-{3-[(1S,5R,6S)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl}-3-(2,4-dihydroxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-{3-[(1S,5R,6S)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl}-3-(2,4-dihydroxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-{3-[(1S,5R,6S)-6-[2,4-Dihydroxy-3-(3-méthyl-2-butén-1-yl)benzyl]-5-(2,4-dihydroxyphényl)-3-méthyl-2-cyclohexén-1-yl]-2,4-dihydroxyphényl}-3-(2,4-dihydroxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[3-[(1S,5R,6S)-6-[[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 935.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.7±3.0 kJ/mol
Flash Point: 533.2±30.8 °C
Index of Refraction: 1.703
Molar Refractivity: 189.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 7.34
ACD/BCF (pH 5.5): 221646.16
ACD/KOC (pH 5.5): 232121.58
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 86792.42
ACD/KOC (pH 7.4): 90894.40
Polar Surface Area: 179 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 488.0±3.0 cm3

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