ChemSpider 2D Image | 16-Hydroxy-1-(hydroxymethyl)-11,12-dimethoxy-1,3a-dimethyl-3a,4-dihydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-2,8,14,15,17(1H)-pentone | C31H23NO11

16-Hydroxy-1-(hydroxymethyl)-11,12-dimethoxy-1,3a-dimethyl-3a,4-dihydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-2,8,14,15,17(1H)-pentone

  • Molecular FormulaC31H23NO11
  • Average mass585.514 Da
  • Monoisotopic mass585.127136 Da
  • ChemSpider ID169573

More details:






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

[1]Benzopyrano[2',3':6,7]naphth[2,1-g]oxazolo[3,2-b]isoquinoline-2,8,14,15,17(1H)-pentone, 3a,4-dihydro-16-hydroxy-1-(hydroxymethyl)-11,12-dimethoxy-1,3a-dimethyl- [ACD/Index Name]
16-Hydroxy-1-(hydroxymethyl)-11,12-dimethoxy-1,3a-dimethyl-3a,4-dihydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isochinolin-2,8,14,15,17(1H)-penton [German] [ACD/IUPAC Name]
16-Hydroxy-1-(hydroxymethyl)-11,12-dimethoxy-1,3a-dimethyl-3a,4-dihydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-2,8,14,15,17(1H)-pentone [ACD/IUPAC Name]
16-Hydroxy-1-(hydroxyméthyl)-11,12-diméthoxy-1,3a-diméthyl-3a,4-dihydrochroméno[2',3':6,7]naphto[2,1-g][1,3]oxazolo[3,2-b]isoquinoléine-2,8,14,15,17(1H)-pentone [French] [ACD/IUPAC Name]
128969-88-0 [RN]
150585-08-3 [RN]
Citreamicin eta
LL E19085 Eta
LL-E19085eta

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

Density: 1.7±0.1 g/cm3
Boiling Point: 901.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.2±3.0 kJ/mol
Flash Point: 498.7±34.3 °C
Index of Refraction: 1.758
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 9.44
ACD/KOC (pH 5.5): 162.97
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.97
Polar Surface Area: 166 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 93.7±5.0 dyne/cm
Molar Volume: 351.3±5.0 cm3

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