ChemSpider 2D Image | (2S)-3',7-Dihydroxy-2',2'-dimethyl-8,8'-bis(3-methyl-2-buten-1-yl)-2,3,3',4'-tetrahydro-2'H,4H-2,6'-bichromen-4-one | C30H36O5

(2S)-3',7-Dihydroxy-2',2'-dimethyl-8,8'-bis(3-methyl-2-buten-1-yl)-2,3,3',4'-tetrahydro-2'H,4H-2,6'-bichromen-4-one

  • Molecular FormulaC30H36O5
  • Average mass476.604 Da
  • Monoisotopic mass476.256287 Da
  • ChemSpider ID58133119

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-3',7-Dihydroxy-2',2'-dimethyl-8,8'-bis(3-methyl-2-buten-1-yl)-2,3,3',4'-tetrahydro-2'H,4H-2,6'-bichromen-4-on [German] [ACD/IUPAC Name]
(2S)-3',7-Dihydroxy-2',2'-dimethyl-8,8'-bis(3-methyl-2-buten-1-yl)-2,3,3',4'-tetrahydro-2'H,4H-2,6'-bichromen-4-one [ACD/IUPAC Name]
(2S)-3',7-Dihydroxy-2',2'-diméthyl-8,8'-bis(3-méthyl-2-butén-1-yl)-2,3,3',4'-tétrahydro-2'H,4H-2,6'-bichromén-4-one [French] [ACD/IUPAC Name]
[2,6'-Bi-2H-1-benzopyran]-4(3H)-one, 3',4'-dihydro-3',7-dihydroxy-2',2'-dimethyl-8,8'-bis(3-methyl-2-buten-1-yl)-, (2S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 663.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 215.8±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 75203.30
ACD/KOC (pH 5.5): 107590.53
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 66113.78
ACD/KOC (pH 7.4): 94586.49
Polar Surface Area: 76 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 411.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement