ChemSpider 2D Image | SQ-31945 | C23H38O9

SQ-31945

  • Molecular FormulaC23H38O9
  • Average mass458.542 Da
  • Monoisotopic mass458.251587 Da
  • ChemSpider ID32698256

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3R,5R)-3,5-Dihydroxy-7-[(1S,2R,3S,5R,6S,8S,8aR)-3,5,6-trihydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]heptanoic acid [ACD/IUPAC Name]
(3R,5R)-3,5-Dihydroxy-7-[(1S,2R,3S,5R,6S,8S,8aR)-3,5,6-trihydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,3,5,6,7,8,8a-octahydro-1-naphthalinyl]heptansäure [German] [ACD/IUPAC Name]
124409-20-7 [RN]
1-Naphthaleneheptanoic acid, 1,2,3,5,6,7,8,8a-octahydro-β,δ,3,5,6-pentahydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, (βR,δR,1S,2R,3S,5R,6S,8S,8aR)- [ACD/Index Name]
774J05US3V
Acide (3R,5R)-3,5-dihydroxy-7-[(1S,2R,3S,5R,6S,8S,8aR)-3,5,6-trihydroxy-2-méthyl-8-{[(2S)-2-méthylbutanoyl]oxy}-1,2,3,5,6,7,8,8a-octahydro-1-naphtalényl]heptanoïque [French] [ACD/IUPAC Name]
SQ-31945
Pravastatin dihydrodiol
UNII:774J05US3V
UNII-774J05US3V

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

Density: 1.3±0.1 g/cm3
Boiling Point: 679.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 227.0±25.0 °C
Index of Refraction: 1.569
Molar Refractivity: 115.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -0.52
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.96
ACD/LogD (pH 7.4): -2.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 351.6±5.0 cm3

Click to predict properties on the Chemicalize site


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