ChemSpider 2D Image | 10,11-Dihydroxy-1,12-bis[(2R)-2-hydroxypropyl]-4,6,7,9-tetramethoxy-2,3-perylenedione | C30H30O10

10,11-Dihydroxy-1,12-bis[(2R)-2-hydroxypropyl]-4,6,7,9-tetramethoxy-2,3-perylenedione

  • Molecular FormulaC30H30O10
  • Average mass550.553 Da
  • Monoisotopic mass550.183899 Da
  • ChemSpider ID4580006

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

10,11-Dihydroxy-1,12-bis[(2R)-2-hydroxypropyl]-4,6,7,9-tetramethoxy-2,3-perylendion [German] [ACD/IUPAC Name]
10,11-Dihydroxy-1,12-bis[(2R)-2-hydroxypropyl]-4,6,7,9-tetramethoxy-2,3-perylenedione [ACD/IUPAC Name]
10,11-Dihydroxy-1,12-bis[(2R)-2-hydroxypropyl]-4,6,7,9-tétraméthoxy-2,3-pérylènedione [French] [ACD/IUPAC Name]
2,3-Perylenedione, 10,11-dihydroxy-1,12-bis[(2R)-2-hydroxypropyl]-4,6,7,9-tetramethoxy- [ACD/Index Name]

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

NCI60_032062 [DBID]
NSC688980 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 866.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±3.0 kJ/mol
Flash Point: 287.3±27.8 °C
Index of Refraction: 1.697
Molar Refractivity: 142.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 313.05
ACD/KOC (pH 5.5): 2121.49
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 170.51
ACD/KOC (pH 7.4): 1155.51
Polar Surface Area: 152 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 369.9±5.0 cm3

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