ChemSpider 2D Image | (2R,2'R,5'S)-5-Hydroxy-5'-(3-hydroxy-1-propen-2-yl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylic acid | C16H16O6

(2R,2'R,5'S)-5-Hydroxy-5'-(3-hydroxy-1-propen-2-yl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylic acid

  • Molecular FormulaC16H16O6
  • Average mass304.295 Da
  • Monoisotopic mass304.094696 Da
  • ChemSpider ID71298823

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,2'R,5'S)-5-Hydroxy-5'-(3-hydroxy-1-propen-2-yl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentane]-2'-carbonsäure [German] [ACD/IUPAC Name]
(2R,2'R,5'S)-5-Hydroxy-5'-(3-hydroxy-1-propen-2-yl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylic acid [ACD/IUPAC Name]
Acide (2R,2'R,5'S)-5-hydroxy-5'-(3-hydroxy-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-(hydroxymethyl)ethenyl]-3-oxo-, (2R,2'R,5'S)- [ACD/Index Name]
Spiroapplanatumine L

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

Density: 1.5±0.1 g/cm3
Boiling Point: 609.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 231.1±25.0 °C
Index of Refraction: 1.653
Molar Refractivity: 75.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.18
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 204.9±5.0 cm3

Click to predict properties on the Chemicalize site


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