ChemSpider 2D Image | (7S)-7-[(2S,4R,5S,6R)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | C27H29NO11

(7S)-7-[(2S,4R,5S,6R)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

  • Molecular FormulaC27H29NO11
  • Average mass543.519 Da
  • Monoisotopic mass543.174072 Da
  • ChemSpider ID24539992

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

56420-45-2 [RN]
Epirubicin [Wiki]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 810.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 443.8±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.82
ACD/LogD (pH 5.5): -1.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.48
Polar Surface Area: 206 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 96.4±5.0 dyne/cm
Molar Volume: 336.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement