ChemSpider 2D Image | 3-(Acetoxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1,3,5,12-tetrayl tetraacetate | C31H28O14

3-(Acetoxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1,3,5,12-tetrayl tetraacetate

  • Molecular FormulaC31H28O14
  • Average mass624.546 Da
  • Monoisotopic mass624.147888 Da
  • ChemSpider ID471442

More details:

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

2-Oxo-2-[2,4,5,12-tetrakis(acetyloxy)-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-naphthacenyl]ethyl acetate
3-(Acetoxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1,3,5,12-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
3-(Acetoxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1,3,5,12-tetrayl tetraacetate [ACD/IUPAC Name]
5,12-Naphthacenedione, 6,8,10,11-tetrakis(acetyloxy)-8-[2-(acetyloxy)acetyl]-7,8,9,10-tetrahydro-1-methoxy- [ACD/Index Name]
Tetraacétate de 3-(2-acétoxyacétyl)-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotétracène-1,3,5,12-tétrayle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 6,8,10,11-tetrakis(acetyloxy)-8-[(acetyloxy)acetyl]-7,8,9,10-tetrahydro-1-methoxy-, (8S-cis)-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 766.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 318.2±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.99
ACD/KOC (pH 5.5): 946.83
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.99
ACD/KOC (pH 7.4): 946.83
Polar Surface Area: 192 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 429.2±5.0 cm3

Click to predict properties on the Chemicalize site


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