ChemSpider 2D Image | (8S,10S)-8-Glycoloyl-6,8,11-trihydroxy-10-{[(2R,4S,6R)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione | C27H28O11

(8S,10S)-8-Glycoloyl-6,8,11-trihydroxy-10-{[(2R,4S,6R)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione

  • Molecular FormulaC27H28O11
  • Average mass528.505 Da
  • Monoisotopic mass528.163147 Da
  • ChemSpider ID116015

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(8S,10S)-6,8,11-Trihydroxy-8-(2-hydroxyacétyl)-10-{[(2R,4S,6R)-4-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-1-méthoxy-7,8,9,10-tétrahydro-5,12-tétracènedione [French] [ACD/IUPAC Name]
(8S,10S)-8-Glycoloyl-6,8,11-trihydroxy-10-{[(2R,4S,6R)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracendion [German] [ACD/IUPAC Name]
(8S,10S)-8-Glycoloyl-6,8,11-trihydroxy-10-{[(2R,4S,6R)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione [ACD/IUPAC Name]
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[(2R,4S,6R)-tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-, (8S,10S)- [ACD/Index Name]
(2S-(2α(8R*,10R*),4β,6β))-7,8,9,10-Tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-5,12-naphthacenedione
(8S,10S)-6,8,11-trihydroxy-10-{[(2R,4S,6R)-4-hydroxy-6-methyloxan-2-yl]oxy}-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
(8S,10S)-6,8,11-trihydroxy-10-{[(2R,4S,6R)-4-hydroxy-6-methyloxan-2-yl]oxy}-8-(2-hydroxyacetyl)-1-methoxy-9,10-dihydro-7H-tetracene-5,12-dione
130592-19-7 [RN]
3'-Hydroxyesorubicin
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-, (2S-(2α(8R*,10R*),4β,6β))-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 794.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 267.4±26.4 °C
Index of Refraction: 1.696
Molar Refractivity: 127.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 51.01
ACD/KOC (pH 5.5): 576.45
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 16.45
ACD/KOC (pH 7.4): 185.95
Polar Surface Area: 180 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 91.0±5.0 dyne/cm
Molar Volume: 332.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement