ChemSpider 2D Image | 1,6,8-Trihydroxy-5-[5-(hydroxymethyl)-6-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl]-3-methyl-7,12-tetraphenedione | C27H27NO7

1,6,8-Trihydroxy-5-[5-(hydroxymethyl)-6-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl]-3-methyl-7,12-tetraphenedione

  • Molecular FormulaC27H27NO7
  • Average mass477.506 Da
  • Monoisotopic mass477.178741 Da
  • ChemSpider ID25038495

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,6,8-Trihydroxy-5-[5-(hydroxymethyl)-6-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl]-3-methyl-7,12-tetraphendion [German] [ACD/IUPAC Name]
1,6,8-Trihydroxy-5-[5-(hydroxymethyl)-6-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl]-3-methyl-7,12-tetraphenedione [ACD/IUPAC Name]
1,6,8-Trihydroxy-5-[5-(hydroxyméthyl)-6-méthyl-4-(méthylamino)tétrahydro-2H-pyran-2-yl]-3-méthyl-7,12-tétraphènedione [French] [ACD/IUPAC Name]
Benz[a]anthracene-7,12-dione, 1,6,8-trihydroxy-3-methyl-5-[tetrahydro-5-(hydroxymethyl)-6-methyl-4-(methylamino)-2H-pyran-2-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 701.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 377.9±32.9 °C
Index of Refraction: 1.726
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.23
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 6.16
Polar Surface Area: 136 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 83.7±5.0 dyne/cm
Molar Volume: 320.8±5.0 cm3

Click to predict properties on the Chemicalize site


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