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Search term: XZJOMGCCXRRFJX-MIDWVNFUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-ETHYLHYDROXY-DOXORUBICIN | C29H33NO12

N-ETHYLHYDROXY-DOXORUBICIN

  • Molecular FormulaC29H33NO12
  • Average mass587.572 Da
  • Monoisotopic mass587.200256 Da
  • ChemSpider ID26328292

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2,3,6-Tridésoxy-3-[(2-hydroxyéthyl)amino]hexopyranoside de 3,5,12-trihydroxy-3-(2-hydroxyacétyl)-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-[(2-hydroxyethyl)amino]hexopyranoside [ACD/IUPAC Name]
3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-[(2-hydroxyethyl)amino]hexopyranosid [German] [ACD/IUPAC Name]
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(2-hydroxyethyl)amino]hexopyranosyl]oxy]- [ACD/Index Name]
N-ETHYLHYDROXY-DOXORUBICIN

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

Density: 1.6±0.1 g/cm3
Boiling Point: 875.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.3±3.0 kJ/mol
Flash Point: 483.3±34.3 °C
Index of Refraction: 1.696
Molar Refractivity: 142.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.50
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.44
Polar Surface Area: 212 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 93.6±5.0 dyne/cm
Molar Volume: 369.9±5.0 cm3

Click to predict properties on the Chemicalize site


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