ChemSpider 2D Image | Brasiliquinone D | C28H29NO8

Brasiliquinone D

  • Molecular FormulaC28H29NO8
  • Average mass507.532 Da
  • Monoisotopic mass507.189331 Da
  • ChemSpider ID9930658

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S)-3-Ethyl-6-hydroxy-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-8-tetraphenyl 3-acetamido-2,3,6-trideoxy-α-L-ribo-hexopyranoside [ACD/IUPAC Name]
(3S)-3-Ethyl-6-hydroxy-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-8-tetraphenyl-3-acetamido-2,3,6-tridesoxy-α-L-ribo-hexopyranosid [German] [ACD/IUPAC Name]
3-Acétamido-2,3,6-tridésoxy-α-L-ribo-hexopyranoside de (3S)-3-éthyl-6-hydroxy-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-8-tétraphényle [French] [ACD/IUPAC Name]
Benz[a]anthracene-1,7,12(2H)-trione, 8-[[3-(acetylamino)-2,3,6-trideoxy-α-L-ribo-hexopyranosyl]oxy]-3-ethyl-3,4-dihydro-6-hydroxy-, (3S)- [ACD/Index Name]
Brasiliquinone D

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

Density: 1.4±0.1 g/cm3
Boiling Point: 822.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 451.1±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 118.26
ACD/KOC (pH 5.5): 696.53
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 2.28
ACD/KOC (pH 7.4): 13.44
Polar Surface Area: 139 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 355.9±5.0 cm3

Click to predict properties on the Chemicalize site


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