ChemSpider 2D Image | 10-[(2R,4S,5S,6R)-4-(Dimethylamino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-2-[(2S,2'S,3R,3'S)-3,3'-dimethyl-2,2' -bioxir-3-yl]-11-hydroxy-5-methyl-4H-naphtho[2,3-h]chromene-4,7,12-trione (non-preferred name) | C41H50N2O11

10-[(2R,4S,5S,6R)-4-(Dimethylamino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-2-[(2S,2'S,3R,3'S)-3,3'-dimethyl-2,2' -bioxir-3-yl]-11-hydroxy-5-methyl-4H-naphtho[2,3-h]chromene-4,7,12-trione (non-preferred name)

  • Molecular FormulaC41H50N2O11
  • Average mass746.843 Da
  • Monoisotopic mass746.341431 Da
  • ChemSpider ID65793021

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

10-[(2R,4S,5S,6R)-4-(Dimethylamino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-2-[(2S,2'S,3R,3'S)-3,3'-dimethyl-2,2' -bioxir-3-yl]-11-hydroxy-5-methyl-4H-naphtho[2,3-h]chromene-4,7,12-trione (non-preferred name) [ACD/IUPAC Name]
10-[(2R,4S,5S,6R)-4-(Diméthylamino)-5-hydroxy-4,6-diméthyltétrahydro-2H-pyran-2-yl]-8-[(2R,4R,5S,6R)-4-(diméthylamino)-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-2-[(2S,2'S,3R,3'S)-3,3'-diméthyl-2,2' -bioxir-3-yl]-11-hydroxy-5-méthyl-4H-naphto[2,3-h]chromène-4,7,12-trione (non-preferred name) [French] [ACD/IUPAC Name]
hedamycin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 888.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 491.2±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 194.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 1.72
ACD/KOC (pH 7.4): 9.15
Polar Surface Area: 171 Å2
Polarizability: 77.0±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 527.2±5.0 cm3

Click to predict properties on the Chemicalize site


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