ChemSpider 2D Image | fredericamycin B | C31H23NO9

fredericamycin B

  • Molecular FormulaC31H23NO9
  • Average mass553.516 Da
  • Monoisotopic mass553.137268 Da
  • ChemSpider ID9343971

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

8,10,13,15,16-Pentahydroxy-11-methoxy-3-[(1E,3E)-1,3-pentadien-1-yl]-6,7-dihydrotetraceno[2,1-g]isochinolin-1,9,14(2H)-trion [German] [ACD/IUPAC Name]
8,10,13,15,16-Pentahydroxy-11-méthoxy-3-[(1E,3E)-1,3-pentadién-1-yl]-6,7-dihydrotétracéno[2,1-g]isoquinoléine-1,9,14(2H)-trione [French] [ACD/IUPAC Name]
8,10,13,15,16-Pentahydroxy-11-methoxy-3-[(1E,3E)-1,3-pentadien-1-yl]-6,7-dihydrotetraceno[2,1-g]isoquinoline-1,9,14(2H)-trione [ACD/IUPAC Name]
80450-64-2 [RN]
fredericamycin B
Naphthaceno[2,1-g]isoquinoline-1,9,14(2H)-trione, 6,7-dihydro-8,10,13,15,16-pentahydroxy-11-methoxy-3-[(1E,3E)-1,3-pentadien-1-yl]- [ACD/Index Name]

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

6R0OG52S88 [DBID]
UNII:6R0OG52S88 [DBID]
UNII-6R0OG52S88 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 986.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.8±3.0 kJ/mol
Flash Point: 550.5±34.3 °C
Index of Refraction: 1.798
Molar Refractivity: 147.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 778.66
ACD/KOC (pH 5.5): 946.27
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 7.05
ACD/KOC (pH 7.4): 8.56
Polar Surface Area: 174 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 92.1±3.0 dyne/cm
Molar Volume: 345.0±3.0 cm3

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