ChemSpider 2D Image | (3S,3'S)-7,7',9,9',10,10'-Hexahydroxy-3,3'-dipropyl-3,3',4,4'-tetrahydro-1H,1'H-6,6'-bibenzo[g]isochromene-1,1'-dione | C32H30O10

(3S,3'S)-7,7',9,9',10,10'-Hexahydroxy-3,3'-dipropyl-3,3',4,4'-tetrahydro-1H,1'H-6,6'-bibenzo[g]isochromene-1,1'-dione

  • Molecular FormulaC32H30O10
  • Average mass574.575 Da
  • Monoisotopic mass574.183899 Da
  • ChemSpider ID28521881

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,3'S)-7,7',9,9',10,10'-Hexahydroxy-3,3'-dipropyl-3,3',4,4'-tetrahydro-1H,1'H-6,6'-bibenzo[g]isochromen-1,1'-dion [German] [ACD/IUPAC Name]
(3S,3'S)-7,7',9,9',10,10'-Hexahydroxy-3,3'-dipropyl-3,3',4,4'-tetrahydro-1H,1'H-6,6'-bibenzo[g]isochromene-1,1'-dione [ACD/IUPAC Name]
(3S,3'S)-7,7',9,9',10,10'-Hexahydroxy-3,3'-dipropyl-3,3',4,4'-tétrahydro-1H,1'H-6,6'-bibenzo[g]isochromène-1,1'-dione [French] [ACD/IUPAC Name]
[6,6'-Bi-1H-naphtho[2,3-c]pyran]-1,1'-dione, 3,3',4,4'-tetrahydro-7,7',9,9',10,10'-hexahydroxy-3,3'-dipropyl-, (3S,3'S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 865.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.1±3.0 kJ/mol
Flash Point: 284.6±27.8 °C
Index of Refraction: 1.716
Molar Refractivity: 153.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 13.89
ACD/KOC (pH 5.5): 44.88
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 390.4±3.0 cm3

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