ChemSpider 2D Image | (3aS,4R,4aS,8R,8aS,9aS)-4,8-Dihydroxy-8a-methyl-3,5-bis(methylene)decahydronaphtho[2,3-b]furan-2(3H)-one | C15H20O4

(3aS,4R,4aS,8R,8aS,9aS)-4,8-Dihydroxy-8a-methyl-3,5-bis(methylene)decahydronaphtho[2,3-b]furan-2(3H)-one

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID24669639
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(3aS,4R,4aS,8R,8aS,9aS)-4,8-Dihydroxy-8a-methyl-3,5-bis(methylene)decahydronaphtho[2,3-b]furan-2(3H)-one [ACD/IUPAC Name]
(3aS,4R,4aS,8R,8aS,9aS)-4,8-Dihydroxy-8a-methyl-3,5-dimethylendecahydronaphtho[2,3-b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aS,4R,4aS,8R,8aS,9aS)-4,8-Dihydroxy-8a-méthyl-3,5-diméthylènedécahydronaphto[2,3-b]furan-2(3H)-one [French] [ACD/IUPAC Name]
Naphtho[2,3-b]furan-2(3H)-one, decahydro-4,8-dihydroxy-8a-methyl-3,5-bis(methylene)-, (3aS,4R,4aS,8R,8aS,9aS)- [ACD/Index Name]
ANTHEMIN B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 469.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.4±6.0 kJ/mol
Flash Point: 177.4±22.2 °C
Index of Refraction: 1.569
Molar Refractivity: 69.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 7.00
ACD/KOC (pH 5.5): 140.15
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 7.00
ACD/KOC (pH 7.4): 140.15
Polar Surface Area: 67 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 211.6±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement