ChemSpider 2D Image | asperbiphenyl | C24H30O6

asperbiphenyl

  • Molecular FormulaC24H30O6
  • Average mass414.491 Da
  • Monoisotopic mass414.204254 Da
  • ChemSpider ID27023961

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,3'S,4S,4'R)-3,3',4,4',5,5'-Hexamethyl-3,3',4,4'-tetrahydro-1H,1'H-7,7'-biisochromen-6,6',8,8'-tetrol [German] [ACD/IUPAC Name]
(3R,3'S,4S,4'R)-3,3',4,4',5,5'-Hexamethyl-3,3',4,4'-tetrahydro-1H,1'H-7,7'-biisochromene-6,6',8,8'-tetrol [ACD/IUPAC Name]
(3R,3'S,4S,4'R)-3,3',4,4',5,5'-Hexaméthyl-3,3',4,4'-tétrahydro-1H,1'H-7,7'-biisochromène-6,6',8,8'-tétrol [French] [ACD/IUPAC Name]
[7,7'-Bi-1H-2-benzopyran]-6,6',8,8'-tetrol, 3,3',4,4'-tetrahydro-3,3',4,4',5,5'-hexamethyl-, (3R,3'S,4S,4'R)- [ACD/Index Name]
asperbiphenyl

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

Density: 1.2±0.1 g/cm3
Boiling Point: 543.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 282.6±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 114.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.03
ACD/KOC (pH 5.5): 1140.57
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 123.79
ACD/KOC (pH 7.4): 1077.55
Polar Surface Area: 99 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 336.7±3.0 cm3

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