ChemSpider 2D Image | (3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-Dimethyl-8-{[(2R)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]-3,5-dihydroxyheptanoic acid | C24H38O6

(3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-Dimethyl-8-{[(2R)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]-3,5-dihydroxyheptanoic acid

  • Molecular FormulaC24H38O6
  • Average mass422.555 Da
  • Monoisotopic mass422.266846 Da
  • ChemSpider ID23185992

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-Dimethyl-8-{[(2R)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-Dimethyl-8-{[(2R)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalinyl]-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
(3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-{[(2R)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-8-[(2R)-2-methyl-1-oxobutoxy]-, (βR,δR,1S,2S,6R,8S,8aR)- [ACD/Index Name]
Acide (3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-diméthyl-8-{[(2R)-2-méthylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphtalényl]-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]
(3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-Dimethyl-8-((R)-2-methyl-butyryloxy)-1,2,6,7,8,8a-hexahydro-naphthalen-1-yl]-3,5-dihydroxy-heptanoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL330439/
Mevinolinic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 602.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.8±6.0 kJ/mol
Flash Point: 199.1±25.0 °C
Index of Refraction: 1.538
Molar Refractivity: 115.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 20.55
ACD/KOC (pH 5.5): 128.47
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.16
Polar Surface Area: 104 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 368.0±5.0 cm3

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