ChemSpider 2D Image | (2S,2'S)-5,7,8'-Trihydroxy-2'-methyl-6-(3-methyl-2-buten-1-yl)-2'-(4-methyl-3-penten-1-yl)-2,3-dihydro-2'H,4H-2,5'-bichromen-4-one | C30H34O6

(2S,2'S)-5,7,8'-Trihydroxy-2'-methyl-6-(3-methyl-2-buten-1-yl)-2'-(4-methyl-3-penten-1-yl)-2,3-dihydro-2'H,4H-2,5'-bichromen-4-one

  • Molecular FormulaC30H34O6
  • Average mass490.587 Da
  • Monoisotopic mass490.235535 Da
  • ChemSpider ID24635574

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,2'S)-5,7,8'-Trihydroxy-2'-methyl-6-(3-methyl-2-buten-1-yl)-2'-(4-methyl-3-penten-1-yl)-2,3-dihydro-2'H,4H-2,5'-bichromen-4-on [German] [ACD/IUPAC Name]
(2S,2'S)-5,7,8'-Trihydroxy-2'-methyl-6-(3-methyl-2-buten-1-yl)-2'-(4-methyl-3-penten-1-yl)-2,3-dihydro-2'H,4H-2,5'-bichromen-4-one [ACD/IUPAC Name]
(2S,2'S)-5,7,8'-Trihydroxy-2'-méthyl-6-(3-méthyl-2-butén-1-yl)-2'-(4-méthyl-3-pentén-1-yl)-2,3-dihydro-2'H,4H-2,5'-bichromén-4-one [French] [ACD/IUPAC Name]
[2,5'-Bi-2H-1-benzopyran]-4(3H)-one, 5,7,8'-trihydroxy-2'-methyl-6-(3-methyl-2-buten-1-yl)-2'-(4-methyl-3-penten-1-yl)-, (2S,2'S)- [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: 700.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 229.5±26.4 °C
Index of Refraction: 1.603
Molar Refractivity: 139.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.10
ACD/LogD (pH 5.5): 7.88
ACD/BCF (pH 5.5): 576660.94
ACD/KOC (pH 5.5): 461851.78
ACD/LogD (pH 7.4): 7.71
ACD/BCF (pH 7.4): 389944.19
ACD/KOC (pH 7.4): 312309.03
Polar Surface Area: 96 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 405.6±3.0 cm3

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