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 4-methylhexanoate | C25H24O7

(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 4-methylhexanoate

  • Molecular FormulaC25H24O7
  • Average mass436.454 Da
  • Monoisotopic mass436.152191 Da
  • ChemSpider ID40256697

  • 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 4-methylhexanoate [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-4-methylhexanoat [German] [ACD/IUPAC Name]
4-Méthylhexanoate 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]
Hexanoic acid, 4-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 L

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

Density: 1.4±0.1 g/cm3
Boiling Point: 647.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 223.4±25.0 °C
Index of Refraction: 1.665
Molar Refractivity: 112.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 874.55
ACD/KOC (pH 5.5): 4418.55
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 362.45
ACD/KOC (pH 7.4): 1831.23
Polar Surface Area: 113 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 302.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement