ChemSpider 2D Image | Argentinic acid F | C41H66O10

Argentinic acid F

  • Molecular FormulaC41H66O10
  • Average mass718.957 Da
  • Monoisotopic mass718.465576 Da
  • ChemSpider ID16737556

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

2H-Benz[e]indene-6-propanoic acid, 3,3a,4,5,5a,6,7,8,9,9a-decahydro-7-(1-hydroxy-1-methylethyl)-9-[(2R)-2-hydroxy-3-methyl-1-oxobutoxy]-5-[[(2R,3R)-2-hydroxy-3-methyl-1-oxopentyl]oxy]-3a,6,9a-trimethy l-3-[(3S,5S)-tetrahydro-5-(2-methyl-1-propen-1-yl)-3-furanyl]-, (3S,3aS,5R,5aR,6R,7R,9R,9aR)- [ACD/Index Name]
3-{(3S,3aS,5R,5aR,6R,7R,9R,9aR)-9-{[(2R)-2-Hydroxy-3-methylbutanoyl]oxy}-5-{[(2R,3R)-2-hydroxy-3-methylpentanoyl]oxy}-7-(2-hydroxy-2-propanyl)-3a,6,9a-trimethyl-3-[(3S,5S)-5-(2-methyl-1-propen-1-yl)te trahydro-3-furanyl]-3,3a,4,5,5a,6,7,8,9,9a-decahydro-2H-cyclopenta[a]naphthalen-6-yl}propanoic acid [ACD/IUPAC Name]
3-{(3S,3aS,5R,5aR,6R,7R,9R,9aR)-9-{[(2R)-2-Hydroxy-3-methylbutanoyl]oxy}-5-{[(2R,3R)-2-hydroxy-3-methylpentanoyl]oxy}-7-(2-hydroxy-2-propanyl)-3a,6,9a-trimethyl-3-[(3S,5S)-5-(2-methyl-1-propen-1-yl)te trahydro-3-furanyl]-3,3a,4,5,5a,6,7,8,9,9a-decahydro-2H-cyclopenta[a]naphthalin-6-yl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{(3S,3aS,5R,5aR,6R,7R,9R,9aR)-9-{[(2R)-2-hydroxy-3-méthylbutanoyl]oxy}-5-{[(2R,3R)-2-hydroxy-3-méthylpentanoyl]oxy}-7-(2-hydroxy-2-propanyl)-3a,6,9a-triméthyl-3-[(3S,5S)-5-(2-méthyl-1-propén-1 -yl)tétrahydro-3-furanyl]-3,3a,4,5,5a,6,7,8,9,9a-décahydro-2H-cyclopenta[a]naphtalén-6-yl}propanoïque [French] [ACD/IUPAC Name]
Argentinic acid F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 774.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.4±6.0 kJ/mol
Flash Point: 222.9±26.4 °C
Index of Refraction: 1.548
Molar Refractivity: 194.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 2927.28
ACD/KOC (pH 5.5): 6130.53
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 46.63
ACD/KOC (pH 7.4): 97.66
Polar Surface Area: 160 Å2
Polarizability: 77.1±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 612.5±5.0 cm3

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