ChemSpider 2D Image | (8S,10S)-8-Acetyl-6,8,11-trihydroxy-1-methoxy-10-{[(1S,3S)-1-methyloctahydro-1H-pyrano[4,3-d]pyrrolo[2,1-b][1,3]oxazol-3-yl]oxy}-7,8,9,10-tetrahydro-5,12-tetracenedione | C31H33NO10

(8S,10S)-8-Acetyl-6,8,11-trihydroxy-1-methoxy-10-{[(1S,3S)-1-methyloctahydro-1H-pyrano[4,3-d]pyrrolo[2,1-b][1,3]oxazol-3-yl]oxy}-7,8,9,10-tetrahydro-5,12-tetracenedione

  • Molecular FormulaC31H33NO10
  • Average mass579.594 Da
  • Monoisotopic mass579.210449 Da
  • ChemSpider ID17227759

  • defined stereocentres - 4 of 7 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-{[(1S,3S)-1-methyloctahydro-1H-pyrano[4,3-d]pyrrolo[2,1-b][1,3]oxazol-3-yl]oxy}-7,8,9,10-tetrahydro-5,12-tetracendion [German] [ACD/IUPAC Name]
(8S,10S)-8-Acetyl-6,8,11-trihydroxy-1-methoxy-10-{[(1S,3S)-1-methyloctahydro-1H-pyrano[4,3-d]pyrrolo[2,1-b][1,3]oxazol-3-yl]oxy}-7,8,9,10-tetrahydro-5,12-tetracenedione [ACD/IUPAC Name]
(8S,10S)-8-Acétyl-6,8,11-trihydroxy-1-méthoxy-10-{[(1S,3S)-1-méthyloctahydro-1H-pyrano[4,3-d]pyrrolo[2,1-b][1,3]oxazol-3-yl]oxy}-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-[[(1S,3S)-octahydro-1-methyl-1H-pyrano[4,3-d]pyrrolo[2,1-b]oxazol-3-yl]oxy]-, (8S,10S)- [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: 774.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 422.4±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 206.35
ACD/KOC (pH 5.5): 919.99
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 422.01
ACD/KOC (pH 7.4): 1881.47
Polar Surface Area: 152 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 81.7±5.0 dyne/cm
Molar Volume: 378.2±5.0 cm3

Click to predict properties on the Chemicalize site


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