ChemSpider 2D Image | jadomycin A | C24H21NO6

jadomycin A

  • Molecular FormulaC24H21NO6
  • Average mass419.427 Da
  • Monoisotopic mass419.136902 Da
  • ChemSpider ID28288204
  • defined stereocentres - 3 of 3 defined stereocentres


More details:



Featured data source



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

(1S,3aS)-1-[(2S)-2-Butanyl]-7,12-dihydroxy-5-methyl-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-2,8,13(1H)-trion [German] [ACD/IUPAC Name]
(1S,3aS)-1-[(2S)-2-Butanyl]-7,12-dihydroxy-5-methyl-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridine-2,8,13(1H)-trione [ACD/IUPAC Name]
(1S,3aS)-1-[(2S)-2-Butanyl]-7,12-dihydroxy-5-méthyl-3aH-benzo[b][1,3]oxazolo[3,2-f]phénanthridine-2,8,13(1H)-trione [French] [ACD/IUPAC Name]
8H-Benz[b]oxazolo[3,2-f]phenanthridine-2,8,13(1H,3aH)-trione, 7,12-dihydroxy-5-methyl-1-[(1S)-1-methylpropyl]-, (1S,3aS)- [ACD/Index Name]
jadomycin A
E'jadomycin A'
Jadomycin B aglycon

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

Density: 1.5±0.1 g/cm3
Boiling Point: 717.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 387.5±32.9 °C
Index of Refraction: 1.710
Molar Refractivity: 109.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1916.77
ACD/KOC (pH 5.5): 7689.70
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 365.87
ACD/KOC (pH 7.4): 1467.79
Polar Surface Area: 104 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 77.8±5.0 dyne/cm
Molar Volume: 279.9±5.0 cm3

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