ChemSpider 2D Image | (2R,2'R,5'S)-5-Hydroxy-5'-[3-({[(2R,2'R,5'S)-5-hydroxy-5'-(3-hydroxy-1-propen-2-yl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentan]-2'-yl]carbonyl}oxy)-1-propen-2-yl]-3-oxo-3H-spiro[1-benzofuran-2,1'-cy clopentane]-2'-carboxylic acid | C32H30O11

(2R,2'R,5'S)-5-Hydroxy-5'-[3-({[(2R,2'R,5'S)-5-hydroxy-5'-(3-hydroxy-1-propen-2-yl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentan]-2'-yl]carbonyl}oxy)-1-propen-2-yl]-3-oxo-3H-spiro[1-benzofuran-2,1'-cy clopentane]-2'-carboxylic acid

  • Molecular FormulaC32H30O11
  • Average mass590.574 Da
  • Monoisotopic mass590.178833 Da
  • ChemSpider ID78438814

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,2'R,5'S)-5-Hydroxy-5'-[3-({[(2R,2'R,5'S)-5-hydroxy-5'-(3-hydroxy-1-propen-2-yl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentan]-2'-yl]carbonyl}oxy)-1-propen-2-yl]-3-oxo-3H-spiro[1-benzofuran-2,1'-cy clopentane]-2'-carbonsäure [German] [ACD/IUPAC Name]
(2R,2'R,5'S)-5-Hydroxy-5'-[3-({[(2R,2'R,5'S)-5-hydroxy-5'-(3-hydroxy-1-propen-2-yl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentan]-2'-yl]carbonyl}oxy)-1-propen-2-yl]-3-oxo-3H-spiro[1-benzofuran-2,1'-cy clopentane]-2'-carboxylic acid [ACD/IUPAC Name]
Acide (2R,2'R,5'S)-5-hydroxy-5'-[3-({[(2R,2'R,5'S)-5-hydroxy-5'-(3-hydroxy-1-propén-2-yl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentan]-2'-yl]carbonyl}oxy)-1-propén-2-yl]-3-oxo-3H-spiro[1-benzofuran-2 ,1'-cyclopentane]-2'-carboxylique [French] [ACD/IUPAC Name]
Spiro[benzofuran-2(3H),1'-cyclopentane]-2'-carboxylic acid, 5-hydroxy-5'-[1-[[[[(2R,2'R,5'S)-5-hydroxy-5'-[1-(hydroxymethyl)ethenyl]-3-oxospiro[benzofuran-2(3H),1'-cyclopentan]-2'-yl]carbonyl]oxy]meth yl]ethenyl]-3-oxo-, (2R,2'R,5'S)- [ACD/Index Name]
Ganoleucin D

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

Density: 1.5±0.1 g/cm3
Boiling Point: 866.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.0±3.0 kJ/mol
Flash Point: 283.9±27.8 °C
Index of Refraction: 1.686
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 4.32
ACD/KOC (pH 5.5): 36.89
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 81.5±5.0 dyne/cm
Molar Volume: 385.7±5.0 cm3

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