ChemSpider 2D Image | kurarinol | C26H32O7

kurarinol

  • Molecular FormulaC26H32O7
  • Average mass456.528 Da
  • Monoisotopic mass456.214813 Da
  • ChemSpider ID23332653

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-(2,4-Dihydroxyphenyl)-7-hydroxy-8-[(2R)-5-hydroxy-2-isopropenyl-5-methylhexyl]-5-methoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-2-(2,4-Dihydroxyphenyl)-7-hydroxy-8-[(2R)-5-hydroxy-2-isopropenyl-5-methylhexyl]-5-methoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-2-(2,4-Dihydroxyphényl)-7-hydroxy-8-[(2R)-5-hydroxy-2-isopropényl-5-méthylhexyl]-5-méthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-8-[(2R)-5-hydroxy-5-methyl-2-(1-methylethenyl)hexyl]-5-methoxy-, (2S)- [ACD/Index Name]
855746-98-4 [RN]
kurarinol
(2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-[(2R)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-5-methoxy-2,3-dihydro-4H-1-benzopyran-4-one
(2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-[(2R)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-5-methoxy-2,3-dihydro-4H-chromen-4-one
(2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-[(2R)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-5-methoxy-2,3-dihydrochromen-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL455667/
  • Miscellaneous

    • Chemical Class:

      A trihydroxyflavanone that is (2<stereo>S</stereo>)-flavanone substituted by hydroxy groups at positions 7, 2' and 4' , a methoxy group at position 5 and a (2<stereo>S</stereo>)-5-hydroxy-5-methyl-2-( prop-1-en-2-yl)hexyl group at position 8 respectively. ChEBI CHEBI:81093
      A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7, 2' and 4' , a methoxy group at position 5 and a (2S)-5-hydroxy-5-methyl-2-(; prop-1-en-2-yl)hexyl group at po sition 8 respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81093
      A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7, 2' and 4' , a methoxy group at position 5 and a (2S)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl group at posi tion 8 respectively. ChEBI CHEBI:81093

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 229.2±25.0 °C
Index of Refraction: 1.598
Molar Refractivity: 124.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1455.78
ACD/KOC (pH 5.5): 6376.34
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 828.17
ACD/KOC (pH 7.4): 3627.40
Polar Surface Area: 116 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 365.0±3.0 cm3

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