ChemSpider 2D Image | Kuwanon Q | C40H38O9

Kuwanon Q

  • Molecular FormulaC40H38O9
  • Average mass662.724 Da
  • Monoisotopic mass662.251587 Da
  • ChemSpider ID10273088

  • 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-[(1R,5R,6S)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(4-hydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one
(2E)-1-{3-[(1R,5R,6S)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(4-hydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl}-3-(2,4-dihydroxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-{3-[(1R,5R,6S)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(4-hydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl}-3-(2,4-dihydroxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-{3-[(1R,5R,6S)-6-[2,4-Dihydroxy-3-(3-méthyl-2-butén-1-yl)benzoyl]-5-(4-hydroxyphényl)-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-[(1R,5R,6S)-6-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(4-hydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-, (2E)- [ACD/Index Name]
89803-86-1 [RN]
Kuwanon Q

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

Density: 1.4±0.1 g/cm3
Boiling Point: 927.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.5±3.0 kJ/mol
Flash Point: 528.5±30.8 °C
Index of Refraction: 1.696
Molar Refractivity: 187.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 9.34
ACD/LogD (pH 5.5): 7.72
ACD/BCF (pH 5.5): 430991.81
ACD/KOC (pH 5.5): 373274.38
ACD/LogD (pH 7.4): 7.21
ACD/BCF (pH 7.4): 133616.09
ACD/KOC (pH 7.4): 115722.53
Polar Surface Area: 176 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 488.3±3.0 cm3

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