ChemSpider 2D Image | 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-[benzyl(2-hydroxyethyl)amino]-2,3,6-trideoxyhexopyranoside | C36H39NO11

3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-[benzyl(2-hydroxyethyl)amino]-2,3,6-trideoxyhexopyranoside

  • Molecular FormulaC36H39NO11
  • Average mass661.695 Da
  • Monoisotopic mass661.252319 Da
  • ChemSpider ID383986

More details:

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

3-[Benzyl(2-hydroxyéthyl)amino]-2,3,6-tridésoxyhexopyranoside 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 3-[benzyl(2-hydroxyethyl)amino]-2,3,6-trideoxyhexopyranoside [ACD/IUPAC Name]
3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-[benzyl(2-hydroxyethyl)amino]-2,3,6-tridesoxyhexopyranosid [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-[(2-hydroxyethyl)(phenylmethyl)amino]hexopyranosyl]oxy]- [ACD/Index Name]

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

NSC344822 [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: 870.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.5±3.0 kJ/mol
Flash Point: 480.0±34.3 °C
Index of Refraction: 1.690
Molar Refractivity: 170.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 54.05
ACD/KOC (pH 5.5): 349.70
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 115.15
ACD/KOC (pH 7.4): 745.02
Polar Surface Area: 183 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 83.2±5.0 dyne/cm
Molar Volume: 445.6±5.0 cm3

Click to predict properties on the Chemicalize site


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