ChemSpider 2D Image | (3S,4R)-4,7,10,15,16-Pentahydroxy-8-methoxy-3-methyl-3,4,6,7-tetrahydro-1H-tetraceno[2,1-g]isochromene-1,9,14-trione | C27H20O10

(3S,4R)-4,7,10,15,16-Pentahydroxy-8-methoxy-3-methyl-3,4,6,7-tetrahydro-1H-tetraceno[2,1-g]isochromene-1,9,14-trione

  • Molecular FormulaC27H20O10
  • Average mass504.442 Da
  • Monoisotopic mass504.105652 Da
  • ChemSpider ID8133397

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S,4R)-4,7,10,15,16-Pentahydroxy-8-methoxy-3-methyl-3,4,6,7-tetrahydro-1H-tetraceno[2,1-g]isochromen-1,9,14-trion [German] [ACD/IUPAC Name]
(3S,4R)-4,7,10,15,16-Pentahydroxy-8-methoxy-3-methyl-3,4,6,7-tetrahydro-1H-tetraceno[2,1-g]isochromene-1,9,14-trione [ACD/IUPAC Name]
(3S,4R)-4,7,10,15,16-Pentahydroxy-8-méthoxy-3-méthyl-3,4,6,7-tétrahydro-1H-tétracéno[2,1-g]isochromène-1,9,14-trione [French] [ACD/IUPAC Name]
1H-Naphtho[2',3':6,7]phenanthro[3,2-c]pyran-1,9,14-trione, 3,4,6,7-tetrahydro-4,7,10,15,16-pentahydroxy-8-methoxy-3-methyl-, (3S,4R)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 911.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.8±3.0 kJ/mol
Flash Point: 313.6±27.8 °C
Index of Refraction: 1.761
Molar Refractivity: 124.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 185.09
ACD/KOC (pH 5.5): 1008.51
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.09
Polar Surface Area: 171 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 91.8±3.0 dyne/cm
Molar Volume: 303.3±3.0 cm3

Click to predict properties on the Chemicalize site


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