ChemSpider 2D Image | gymnochrome A | C36H24Br4O10

gymnochrome A

  • Molecular FormulaC36H24Br4O10
  • Average mass936.186 Da
  • Monoisotopic mass931.810242 Da
  • ChemSpider ID10474034

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,5,9,12-Tetrabrom-1,3,4,6,8,13-hexahydroxy-10-[(2R)-2-hydroxypentyl]-11-[(2S)-2-hydroxypropyl]phenanthro[1,10,9,8-opqra]perylen-7,14-dion [German] [ACD/IUPAC Name]
2,5,9,12-Tetrabromo-1,3,4,6,8,13-hexahydroxy-10-[(2R)-2-hydroxypentyl]-11-[(2S)-2-hydroxypropyl]phenanthro[1,10,9,8-opqra]perylene-7,14-dione [ACD/IUPAC Name]
2,5,9,12-Tétrabromo-1,3,4,6,8,13-hexahydroxy-10-[(2R)-2-hydroxypentyl]-11-[(2S)-2-hydroxypropyl]phénanthro[1,10,9,8-opqra]pérylène-7,14-dione [French] [ACD/IUPAC Name]
gymnochrome A
Phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 2,5,9,12-tetrabromo-1,3,4,6,8,13-hexahydroxy-10-[(2R)-2-hydroxypentyl]-11-[(2S)-2-hydroxypropyl]- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1040.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.4±3.0 kJ/mol
Flash Point: 583.0±34.3 °C
Index of Refraction: 1.950
Molar Refractivity: 204.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 11.90
ACD/LogD (pH 5.5): 9.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 317285.03
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 717.58
ACD/KOC (pH 7.4): 125.43
Polar Surface Area: 196 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 118.9±3.0 dyne/cm
Molar Volume: 423.0±3.0 cm3

Click to predict properties on the Chemicalize site


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