ChemSpider 2D Image | (3S)-3-Methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-8-tetraphenyl 6-deoxy-beta-D-gulopyranoside | C25H24O8

(3S)-3-Methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-8-tetraphenyl 6-deoxy-β-D-gulopyranoside

  • Molecular FormulaC25H24O8
  • Average mass452.453 Da
  • Monoisotopic mass452.147125 Da
  • ChemSpider ID78442918

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S)-3-Methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-8-tetraphenyl 6-deoxy-β-D-gulopyranoside [ACD/IUPAC Name]
(3S)-3-Methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-8-tetraphenyl-6-desoxy-β-D-gulopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-D-gulopyranoside de (3S)-3-méthyl-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-[(6-deoxy-β-D-gulopyranosyl)oxy]-3,4-dihydro-3-methyl-, (3S)- [ACD/Index Name]
Atramycin 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: 743.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 258.3±26.4 °C
Index of Refraction: 1.658
Molar Refractivity: 114.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 41.92
ACD/KOC (pH 5.5): 504.55
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 41.91
ACD/KOC (pH 7.4): 504.55
Polar Surface Area: 130 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 69.0±3.0 dyne/cm
Molar Volume: 310.9±3.0 cm3

Click to predict properties on the Chemicalize site


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