ChemSpider 2D Image | p-Hydroxyatorvastatin | C33H35FN2O6

p-Hydroxyatorvastatin

  • Molecular FormulaC33H35FN2O6
  • Average mass574.639 Da
  • Monoisotopic mass574.247925 Da
  • ChemSpider ID8026819

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5R)-7-{2-(4-Fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-5-isopropyl-3-phenyl-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-{2-(4-Fluorphenyl)-4-[(4-hydroxyphenyl)carbamoyl]-5-isopropyl-3-phenyl-1H-pyrrol-1-yl}-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-4-[[(4-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-, (βR,δR)- [ACD/Index Name]
214217-88-6 [RN]
Acide (3R,5R)-7-{2-(4-fluorophényl)-4-[(4-hydroxyphényl)carbamoyl]-5-isopropyl-3-phényl-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]
PARAHYDROXYATORVASTATIN
p-Hydroxyatorvastatin
(3R,5R)-7-(2-(4-Fluorophenyl)-4-((4-hydroxyphenyl)carbamoyl)-5-isopropyl-3-phenyl-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid
(3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
(3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-yl-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9Q2QX99L5W [DBID]
UNII:9Q2QX99L5W [DBID]
UNII-9Q2QX99L5W [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 759.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 116.0±3.0 kJ/mol
    Flash Point: 412.8±32.9 °C
    Index of Refraction: 1.612
    Molar Refractivity: 156.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 3.39
    ACD/LogD (pH 5.5): 2.64
    ACD/BCF (pH 5.5): 28.48
    ACD/KOC (pH 5.5): 159.88
    ACD/LogD (pH 7.4): 0.87
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.71
    Polar Surface Area: 132 Å2
    Polarizability: 61.9±0.5 10-24cm3
    Surface Tension: 48.0±7.0 dyne/cm
    Molar Volume: 449.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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