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

ChemSpider 2D Image | dihydromonacolin L acid | C19H32O4

dihydromonacolin L acid

  • Molecular FormulaC19H32O4
  • Average mass324.455 Da
  • Monoisotopic mass324.230072 Da
  • ChemSpider ID34448639
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3R,5R)-7-[(1S,2S,4aR,6R,8aS)-2,6-Dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-[(1S,2S,4aR,6R,8aS)-2,6-Dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
1-Naphthaleneheptanoic acid, 1,2,4a,5,6,7,8,8a-octahydro-β,δ-dihydroxy-2,6-dimethyl-, (βR,δR,1S,2S,4aR,6R,8aS)- [ACD/Index Name]
Acide (3R,5R)-7-[(1S,2S,4aR,6R,8aS)-2,6-diméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl]-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]
dihydromonacolin L acid
(3R,5R)-7-[(1S,2S,4aR,6R,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-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: 509.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.7±6.0 kJ/mol
Flash Point: 275.7±23.8 °C
Index of Refraction: 1.509
Molar Refractivity: 90.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 16.39
ACD/KOC (pH 5.5): 109.31
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.84
Polar Surface Area: 78 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 302.2±3.0 cm3

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