ChemSpider 2D Image | 4,9-Dihydroxy-6,7-bis[(2R)-2-hydroxypropyl]-1,5,8,12-tetramethoxy-3,10-perylenedione | C30H30O10

4,9-Dihydroxy-6,7-bis[(2R)-2-hydroxypropyl]-1,5,8,12-tetramethoxy-3,10-perylenedione

  • Molecular FormulaC30H30O10
  • Average mass550.553 Da
  • Monoisotopic mass550.183899 Da
  • ChemSpider ID10002406

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3,10-Perylenedione, 4,9-dihydroxy-6,7-bis[(2R)-2-hydroxypropyl]-1,5,8,12-tetramethoxy- [ACD/Index Name]
4,9-Dihydroxy-6,7-bis[(2R)-2-hydroxypropyl]-1,5,8,12-tetramethoxy-3,10-perylendion [German] [ACD/IUPAC Name]
4,9-Dihydroxy-6,7-bis[(2R)-2-hydroxypropyl]-1,5,8,12-tetramethoxy-3,10-perylenedione [ACD/IUPAC Name]
4,9-Dihydroxy-6,7-bis[(2R)-2-hydroxypropyl]-1,5,8,12-tétraméthoxy-3,10-pérylènedione [French] [ACD/IUPAC Name]
124986-26-1 [RN]
Calphostin D

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

Density: 1.5±0.1 g/cm3
Boiling Point: 878.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.7±3.0 kJ/mol
Flash Point: 291.4±27.8 °C
Index of Refraction: 1.709
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 445.17
ACD/KOC (pH 5.5): 2728.50
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 219.19
ACD/KOC (pH 7.4): 1343.43
Polar Surface Area: 152 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 370.1±5.0 cm3

Click to predict properties on the Chemicalize site


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