ChemSpider 2D Image | 2,3,5,20,23,27-Hexahydroxy-4-methyl-15-azaheptacyclo[14.12.0.0~2,7~.0~3,14~.0~8,13~.0~17,26~.0~19,24~]octacosa-1(28),4,8,10,12,16,19,21,23,26-decaene-6,18,25-trione | C28H19NO9

2,3,5,20,23,27-Hexahydroxy-4-methyl-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),4,8,10,12,16,19,21,23,26-decaene-6,18,25-trione

  • Molecular FormulaC28H19NO9
  • Average mass513.452 Da
  • Monoisotopic mass513.105957 Da
  • ChemSpider ID112327

More details:

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

2,3,5,20,23,27-Hexahydroxy-4-methyl-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),4,8,10,12,16,19,21,23,26-decaen-6,18,25-trion [German] [ACD/IUPAC Name]
2,3,5,20,23,27-Hexahydroxy-4-methyl-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),4,8,10,12,16,19,21,23,26-decaene-6,18,25-trione [ACD/IUPAC Name]
2,3,5,20,23,27-Hexahydroxy-4-méthyl-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),4,8,10,12,16,19,21,23,26-décaène-6,18,25-trione [French] [ACD/IUPAC Name]
8,14,9-[2]Butene[1,1,4]triylanthra[1,2-b]benz[f]azocine-5,16,20-trione, 8,9,14,15-tetrahydro-1,4,6,8,17,19-hexahydroxy-18-methyl- [ACD/Index Name]
138370-14-6 [RN]
9,8,14-(2)Buten(1)yl(4)ylideneanthra(1,2-b)benz(f)azocine-5,6,20-trione, 8,9,14,15-tetrahydro-1,4,6,8,17,19-hexahydroxy-18-methyl-, (8R-(8α,9β,14β,17S*))-
Dynemicin Q

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 875.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.3±3.0 kJ/mol
Flash Point: 483.2±34.3 °C
Index of Refraction: 1.870
Molar Refractivity: 128.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 4
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 1962.39
ACD/KOC (pH 5.5): 7643.07
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 69.47
ACD/KOC (pH 7.4): 270.57
Polar Surface Area: 185 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 120.9±3.0 dyne/cm
Molar Volume: 281.7±3.0 cm3

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