ChemSpider 2D Image | (8S,10S)-8-Glycoloyl-6,8,11-trihydroxy-1-methoxy-10-{[(3aS,4S,6R,7aS)-4-methylhexahydro-2H-pyrano[4,3-d][1,3]oxazol-6-yl]oxy}-7,8,9,10-tetrahydro-5,12-tetracenedione | C28H29NO11

(8S,10S)-8-Glycoloyl-6,8,11-trihydroxy-1-methoxy-10-{[(3aS,4S,6R,7aS)-4-methylhexahydro-2H-pyrano[4,3-d][1,3]oxazol-6-yl]oxy}-7,8,9,10-tetrahydro-5,12-tetracenedione

  • Molecular FormulaC28H29NO11
  • Average mass555.530 Da
  • Monoisotopic mass555.174072 Da
  • ChemSpider ID9774059

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8S,10S)-6,8,11-Trihydroxy-8-(2-hydroxyacétyl)-1-méthoxy-10-{[(3aS,4S,6R,7aS)-4-méthylhexahydro-2H-pyrano[4,3-d][1,3]oxazol-6-yl]oxy}-7,8,9,10-tétrahydro-5,12-tétracènedione [French] [ACD/IUPAC Name]
(8S,10S)-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-{[(3aS,4S,6R,7aS)-4-methylhexahydro-2H-pyrano[4,3-d][1,3]oxazol-6-yl]oxy}-7,8,9,10-tetrahydrotetracene-5,12-dione
(8S,10S)-8-Glycoloyl-6,8,11-trihydroxy-1-methoxy-10-{[(3aS,4S,6R,7aS)-4-methylhexahydro-2H-pyrano[4,3-d][1,3]oxazol-6-yl]oxy}-7,8,9,10-tetrahydro-5,12-tetracendion [German] [ACD/IUPAC Name]
(8S,10S)-8-Glycoloyl-6,8,11-trihydroxy-1-methoxy-10-{[(3aS,4S,6R,7aS)-4-methylhexahydro-2H-pyrano[4,3-d][1,3]oxazol-6-yl]oxy}-7,8,9,10-tetrahydro-5,12-tetracenedione [ACD/IUPAC Name]
5,12-Naphthacenedione, 10-[[(3aS,4S,6R,7aS)-hexahydro-4-methyl-2H-pyrano[4,3-d]oxazol-6-yl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)- [ACD/Index Name]
(8S,10S)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-((3aS,4S,6R,7aS)-4-methyl-hexahydro-1H-pyrano[4,3-d]oxazol-6-yloxy)-7,8,9,10-tetrahydrotetracene-5,12-dione
doxazolidine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 799.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 437.4±32.9 °C
Index of Refraction: 1.703
Molar Refractivity: 134.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 14.46
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 6.68
ACD/KOC (pH 7.4): 89.93
Polar Surface Area: 181 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 89.9±5.0 dyne/cm
Molar Volume: 346.6±5.0 cm3

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