ChemSpider 2D Image | Gymnochrome E | C36H26Br2O10

Gymnochrome E

  • Molecular FormulaC36H26Br2O10
  • Average mass778.394 Da
  • Monoisotopic mass775.989258 Da
  • ChemSpider ID24668570

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,5-Dibrom-1,6,8,10,11,13-hexahydroxy-3-[(2R)-2-hydroxypentyl]-4-[(2S)-2-hydroxypropyl]phenanthro[1,10,9,8-opqra]perylen-7,14-dion [German] [ACD/IUPAC Name]
2,5-Dibromo-1,6,8,10,11,13-hexahydroxy-3-[(2R)-2-hydroxypentyl]-4-[(2S)-2-hydroxypropyl]phenanthro[1,10,9,8-opqra]perylene-7,14-dione [ACD/IUPAC Name]
2,5-Dibromo-1,6,8,10,11,13-hexahydroxy-3-[(2R)-2-hydroxypentyl]-4-[(2S)-2-hydroxypropyl]phénanthro[1,10,9,8-opqra]pérylène-7,14-dione [French] [ACD/IUPAC Name]
Gymnochrome E [Wiki]
Phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 2,5-dibromo-1,6,8,10,11,13-hexahydroxy-3-[(2R)-2-hydroxypentyl]-4-[(2S)-2-hydroxypropyl]- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1015.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.3±3.0 kJ/mol
Flash Point: 567.9±34.3 °C
Index of Refraction: 1.952
Molar Refractivity: 188.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 9.49
ACD/LogD (pH 5.5): 8.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 537336.75
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 1612.92
ACD/KOC (pH 7.4): 730.81
Polar Surface Area: 196 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 120.7±3.0 dyne/cm
Molar Volume: 390.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement