ChemSpider 2D Image | ORTHOHYDROXYATORVASTATIN | C33H35FN2O6

ORTHOHYDROXYATORVASTATIN

  • Molecular FormulaC33H35FN2O6
  • Average mass574.639 Da
  • Monoisotopic mass574.247925 Da
  • ChemSpider ID7983984
  • 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-[(2-hydroxyphenyl)carbamoyl]-5-isopropyl-3-phenyl-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-{2-(4-Fluorphenyl)-4-[(2-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-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-, (βR,δR)- [ACD/Index Name]
214217-86-4 [RN]
Acide (3R,5R)-7-{2-(4-fluorophényl)-4-[(2-hydroxyphényl)carbamoyl]-5-isopropyl-3-phényl-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]
ORTHOHYDROXYATORVASTATIN
(3R,5R)-7-(2-(4-fluorophenyl)-4-((2-hydroxyphenyl)carbamoyl)-5-isopropyl-3-phenyl-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid
(3R,5R)-7-(2-(4-fluorophenyl)-4-(2-hydroxyphenylcarbamoyl)-5-isopropyl-3-phenyl-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid
(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5267B75F6S [DBID]
UNII:5267B75F6S [DBID]
UNII-5267B75F6S [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 741.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 402.5±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: 4.13
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 39.71
ACD/KOC (pH 5.5): 202.80
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.41
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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