ChemSpider 2D Image | (2R)-1-{3,10-Dihydroxy-12-[(2R)-2-hydroxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydro-1-perylenyl}-2-propanyl benzoate | C37H34O11

(2R)-1-{3,10-Dihydroxy-12-[(2R)-2-hydroxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydro-1-perylenyl}-2-propanyl benzoate

  • Molecular FormulaC37H34O11
  • Average mass654.659 Da
  • Monoisotopic mass654.210083 Da
  • ChemSpider ID9083714

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-1-{3,10-Dihydroxy-12-[(2R)-2-hydroxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydro-1-perylenyl}-2-propanyl benzoate [ACD/IUPAC Name]
(2R)-1-{3,10-Dihydroxy-12-[(2R)-2-hydroxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydro-1-perylenyl}-2-propanyl-benzoat [German] [ACD/IUPAC Name]
3,10-Perylenedione, 6-[(2R)-2-(benzoyloxy)propyl]-4,9-dihydroxy-7-[(2R)-2-hydroxypropyl]-1,5,8,12-tetramethoxy- [ACD/Index Name]
Benzoate de (2R)-1-{3,10-dihydroxy-12-[(2R)-2-hydroxypropyl]-2,6,7,11-tétraméthoxy-4,9-dioxo-4,9-dihydro-1-pérylényl}-2-propanyle [French] [ACD/IUPAC Name]
Calphostin B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 933.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.3±3.0 kJ/mol
Flash Point: 296.6±27.8 °C
Index of Refraction: 1.702
Molar Refractivity: 174.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15592.56
ACD/KOC (pH 5.5): 34748.19
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 6561.45
ACD/KOC (pH 7.4): 14622.27
Polar Surface Area: 158 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 449.6±5.0 cm3

Click to predict properties on the Chemicalize site


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