ChemSpider 2D Image | 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-[(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino]hexopyranoside | C35H39NO11

3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-[(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino]hexopyranoside

  • Molecular FormulaC35H39NO11
  • Average mass649.684 Da
  • Monoisotopic mass649.252319 Da
  • ChemSpider ID384236

More details:

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

2,3,6-Tridésoxy-3-[(5,5-diméthyl-3-oxo-1-cyclohexén-1-yl)amino]hexopyranoside de 3-acétyl-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-[(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino]hexopyranoside [ACD/IUPAC Name]
3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-[(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino]hexopyranosid [German] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-[(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino]hexopyranosyl]oxy]- [ACD/Index Name]

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

NSC351137 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 853.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.9±3.0 kJ/mol
Flash Point: 469.7±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 164.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 391.19
ACD/KOC (pH 5.5): 2471.62
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 134.09
ACD/KOC (pH 7.4): 847.19
Polar Surface Area: 189 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 443.3±5.0 cm3

Click to predict properties on the Chemicalize site


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