ChemSpider 2D Image | 8,13,15,16-Tetrahydroxy-1-(hydroxymethyl)-12-methoxy-1,3a-dimethyl-3a,4,6,7-tetrahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-2,14,17(1H)-trione | C30H25NO11

8,13,15,16-Tetrahydroxy-1-(hydroxymethyl)-12-methoxy-1,3a-dimethyl-3a,4,6,7-tetrahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-2,14,17(1H)-trione

  • Molecular FormulaC30H25NO11
  • Average mass575.520 Da
  • Monoisotopic mass575.142761 Da
  • ChemSpider ID24713927

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-2,14,17(1H)-trione, 3a,4,6,7-tetrahydro-8,13,15,16-tetrahydroxy-1-(hydroxymethyl)-12-methoxy-1,3a-dimethyl- [ACD/Index Name]
8,13,15,16-Tetrahydroxy-1-(hydroxymethyl)-12-methoxy-1,3a-dimethyl-3a,4,6,7-tetrahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isochinolin-2,14,17(1H)-trion [German] [ACD/IUPAC Name]
8,13,15,16-Tetrahydroxy-1-(hydroxymethyl)-12-methoxy-1,3a-dimethyl-3a,4,6,7-tetrahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-2,14,17(1H)-trione [ACD/IUPAC Name]
8,13,15,16-Tétrahydroxy-1-(hydroxyméthyl)-12-méthoxy-1,3a-diméthyl-3a,4,6,7-tétrahydrochroméno[2',3':6,7]naphto[2,1-g][1,3]oxazolo[3,2-b]isoquinoléine-2,14,17(1H)-trione [French] [ACD/IUPAC Name]
Citreamicin ε

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

Density: 1.8±0.1 g/cm3
Boiling Point: 978.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.4±3.0 kJ/mol
Flash Point: 545.7±34.3 °C
Index of Refraction: 1.811
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 15.42
ACD/KOC (pH 5.5): 200.58
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 117.9±5.0 dyne/cm
Molar Volume: 325.7±5.0 cm3

Click to predict properties on the Chemicalize site


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