ChemSpider 2D Image | (8S,10S)-8-Acetyl-6,8,11-trihydroxy-1-methoxy-10-[(2S)-tetrahydro-2H-pyran-2-yloxy]-7,8,9,10-tetrahydro-5,12-tetracenedione | C26H26O9

(8S,10S)-8-Acetyl-6,8,11-trihydroxy-1-methoxy-10-[(2S)-tetrahydro-2H-pyran-2-yloxy]-7,8,9,10-tetrahydro-5,12-tetracenedione

  • Molecular FormulaC26H26O9
  • Average mass482.479 Da
  • Monoisotopic mass482.157684 Da
  • ChemSpider ID62541656
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(8S,10S)-8-Acetyl-6,8,11-trihydroxy-1-methoxy-10-[(2S)-tetrahydro-2H-pyran-2-yloxy]-7,8,9,10-tetrahydro-5,12-tetracendion [German] [ACD/IUPAC Name]
(8S,10S)-8-Acetyl-6,8,11-trihydroxy-1-methoxy-10-[(2S)-tetrahydro-2H-pyran-2-yloxy]-7,8,9,10-tetrahydro-5,12-tetracenedione [ACD/IUPAC Name]
(8S,10S)-8-Acétyl-6,8,11-trihydroxy-1-méthoxy-10-[(2S)-tétrahydro-2H-pyran-2-yloxy]-7,8,9,10-tétrahydro-5,12-tétracènedione [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[(2S)-tetrahydro-2H-pyran-2-yl]oxy]-, (8S,10S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 704.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 239.7±26.4 °C
Index of Refraction: 1.673
Molar Refractivity: 120.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 219.13
ACD/KOC (pH 5.5): 1637.33
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 74.36
ACD/KOC (pH 7.4): 555.63
Polar Surface Area: 140 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 79.2±5.0 dyne/cm
Molar Volume: 320.8±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement