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Search term: monacolin L acid (Found by approved synonym)

ChemSpider 2D Image | monacolin L acid | C19H30O4

monacolin L acid

  • Molecular FormulaC19H30O4
  • Average mass322.439 Da
  • Monoisotopic mass322.214417 Da
  • ChemSpider ID34448641
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(3R,5R)-7-[(1S,2S,6R,8aR)-2,6-Dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-[(1S,2S,6R,8aR)-2,6-Dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalinyl]-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-, (βR,δR,1S,2S,6R,8aR)- [ACD/Index Name]
Acide (3R,5R)-7-[(1S,2S,6R,8aR)-2,6-diméthyl-1,2,6,7,8,8a-hexahydro-1-naphtalényl]-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]
monacolin L acid
(3R,5R)-7-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 539.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.0±6.0 kJ/mol
Flash Point: 294.2±23.8 °C
Index of Refraction: 1.550
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 7.87
ACD/KOC (pH 5.5): 64.65
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.09
Polar Surface Area: 78 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 283.0±5.0 cm3

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