ChemSpider 2D Image | 5-({(1R,2R,4aR,5R,8aS)-2-[(4-Carboxybutanoyl)oxy]-1,4a-dimethyl-6-methylene-5-[(E)-2-(2-oxo-2,5-dihydro-3-furanyl)vinyl]decahydro-1-naphthalenyl}methoxy)-5-oxopentanoic acid | C30H40O10

5-({(1R,2R,4aR,5R,8aS)-2-[(4-Carboxybutanoyl)oxy]-1,4a-dimethyl-6-methylene-5-[(E)-2-(2-oxo-2,5-dihydro-3-furanyl)vinyl]decahydro-1-naphthalenyl}methoxy)-5-oxopentanoic acid

  • Molecular FormulaC30H40O10
  • Average mass560.633 Da
  • Monoisotopic mass560.262146 Da
  • ChemSpider ID34257810

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5-({(1R,2R,4aR,5R,8aS)-2-[(4-Carboxybutanoyl)oxy]-1,4a-dimethyl-6-methylen-5-[(E)-2-(2-oxo-2,5-dihydro-3-furanyl)vinyl]decahydro-1-naphthalinyl}methoxy)-5-oxopentansäure [German] [ACD/IUPAC Name]
5-({(1R,2R,4aR,5R,8aS)-2-[(4-Carboxybutanoyl)oxy]-1,4a-dimethyl-6-methylene-5-[(E)-2-(2-oxo-2,5-dihydro-3-furanyl)vinyl]decahydro-1-naphthalenyl}methoxy)-5-oxopentanoic acid [ACD/IUPAC Name]
Acide 5-({(1R,2R,4aR,5R,8aS)-2-[(4-carboxybutanoyl)oxy]-1,4a-diméthyl-6-méthylène-5-[(E)-2-(2-oxo-2,5-dihydro-3-furanyl)vinyl]décahydro-1-naphtalényl}méthoxy)-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, mono[[(1R,2R,4aR,5R,8aS)-2-(4-carboxy-1-oxobutoxy)-5-[(E)-2-(2,5-dihydro-2-oxo-3-furanyl)ethenyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenyl]methyl] ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 751.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 119.1±6.0 kJ/mol
Flash Point: 240.3±26.4 °C
Index of Refraction: 1.557
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 8.48
ACD/KOC (pH 5.5): 46.93
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 443.7±5.0 cm3

Click to predict properties on the Chemicalize site


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