ChemSpider 2D Image | (1aS,10R,10aS)-4,5-Dihydroxy-1a-methyl-2,9-dioxo-2,9,10,10a-tetrahydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxiren-10-yl 2-methylbutanoate | C23H20O7

(1aS,10R,10aS)-4,5-Dihydroxy-1a-methyl-2,9-dioxo-2,9,10,10a-tetrahydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxiren-10-yl 2-methylbutanoate

  • Molecular FormulaC23H20O7
  • Average mass408.401 Da
  • Monoisotopic mass408.120911 Da
  • ChemSpider ID28643190

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1aS,10R,10aS)-4,5-Dihydroxy-1a-methyl-2,9-dioxo-2,9,10,10a-tetrahydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxiren-10-yl 2-methylbutanoate [ACD/IUPAC Name]
(1aS,10R,10aS)-4,5-Dihydroxy-1a-methyl-2,9-dioxo-2,9,10,10a-tetrahydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxiren-10-yl-2-methylbutanoat [German] [ACD/IUPAC Name]
2-Méthylbutanoate de (1aS,10R,10aS)-4,5-dihydroxy-1a-méthyl-2,9-dioxo-2,9,10,10a-tétrahydro-1aH-indéno[1',2':7,8]naphto[2,3-b]oxirén-10-yle [French] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, (1aS,10R,10aS)-1a,9,10,10a-tetrahydro-4,5-dihydroxy-1a-methyl-2,9-dioxo-2H-indeno[1',2':7,8]naphth[2,3-b]oxiren-10-yl ester [ACD/Index Name]
fluostatin J

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

Density: 1.5±0.1 g/cm3
Boiling Point: 635.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 225.0±25.0 °C
Index of Refraction: 1.688
Molar Refractivity: 103.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.10
ACD/KOC (pH 5.5): 1481.96
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 78.54
ACD/KOC (pH 7.4): 612.31
Polar Surface Area: 113 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 270.4±5.0 cm3

Click to predict properties on the Chemicalize site


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