ChemSpider 2D Image | 9,8,14-(1)Butanyl(4)ylideneanthra(1,2-b)benz(f)azocine-5,16,19-trione, 8,9,14,15-tetrahydro-1,4,6,8,17-pentahydroxy-20-methoxy-18-methyl- | C29H23NO9

9,8,14-(1)Butanyl(4)ylideneanthra(1,2-b)benz(f)azocine-5,16,19-trione, 8,9,14,15-tetrahydro-1,4,6,8,17-pentahydroxy-20-methoxy-18-methyl-

  • Molecular FormulaC29H23NO9
  • Average mass529.494 Da
  • Monoisotopic mass529.137268 Da
  • ChemSpider ID8160027

More details:

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

2,3,20,23,27-Pentahydroxy-6-methoxy-4-methyl-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),8,10,12,16,19,21,23,26-nonaen-5,18,25-trion [German] [ACD/IUPAC Name]
2,3,20,23,27-Pentahydroxy-6-methoxy-4-methyl-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),8,10,12,16,19,21,23,26-nonaene-5,18,25-trione [ACD/IUPAC Name]
2,3,20,23,27-Pentahydroxy-6-méthoxy-4-méthyl-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),8,10,12,16,19,21,23,26-nonaène-5,18,25-trione [French] [ACD/IUPAC Name]
8,14,9-[1,1,4]Butanetriylanthra[1,2-b]benz[f]azocine-5,16,19-trione, 8,9,14,15-tetrahydro-1,4,6,8,17-pentahydroxy-20-methoxy-18-methyl- [ACD/Index Name]
9,8,14-(1)Butanyl(4)ylideneanthra(1,2-b)benz(f)azocine-5,16,19-trione, 8,9,14,15-tetrahydro-1,4,6,8,17-pentahydroxy-20-methoxy-18-methyl-

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

Density: 1.7±0.1 g/cm3
Boiling Point: 828.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 455.0±34.3 °C
Index of Refraction: 1.822
Molar Refractivity: 132.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 4
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3133.33
ACD/KOC (pH 5.5): 10702.05
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 139.73
ACD/KOC (pH 7.4): 477.25
Polar Surface Area: 174 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 115.2±5.0 dyne/cm
Molar Volume: 303.2±5.0 cm3

Click to predict properties on the Chemicalize site


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