ChemSpider 2D Image | (16-Hydroxy-11,12-dimethoxy-1,3a-dimethyl-2,8,14,15,17-pentaoxo-1,2,3a,4,8,14,15,17-octahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinolin-1-yl)methyl 3-methylbutanoate | C36H31NO12

(16-Hydroxy-11,12-dimethoxy-1,3a-dimethyl-2,8,14,15,17-pentaoxo-1,2,3a,4,8,14,15,17-octahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinolin-1-yl)methyl 3-methylbutanoate

  • Molecular FormulaC36H31NO12
  • Average mass669.631 Da
  • Monoisotopic mass669.184631 Da
  • ChemSpider ID8093455

More details:

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

(16-Hydroxy-11,12-dimethoxy-1,3a-dimethyl-2,8,14,15,17-pentaoxo-1,2,3a,4,8,14,15,17-octahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isochinolin-1-yl)methyl-3-methylbutanoat [German] [ACD/IUPAC Name]
(16-Hydroxy-11,12-dimethoxy-1,3a-dimethyl-2,8,14,15,17-pentaoxo-1,2,3a,4,8,14,15,17-octahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinolin-1-yl)methyl 3-methylbutanoate [ACD/IUPAC Name]
3-Méthylbutanoate de (16-hydroxy-11,12-diméthoxy-1,3a-diméthyl-2,8,14,15,17-pentaoxo-1,2,3a,4,8,14,15,17-octahydrochroméno[2',3':6,7]naphto[2,1-g][1,3]oxazolo[3,2-b]isoquinoléin-1-yl)méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, (1,2,3a,4,8,14,15,17-octahydro-16-hydroxy-11,12-dimethoxy-1,3a-dimethyl-2,8,14,15,17-pentaoxo[1]benzopyrano[2',3':6,7]naphth[2,1-g]oxazolo[3,2-b]isoquinolin-1-yl)methyl ester [ACD/Index Name]
122535-63-1 [RN]
Citreamicin α

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

Density: 1.5±0.1 g/cm3
Boiling Point: 886.6±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: 490.0±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 167.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 194.63
ACD/KOC (pH 5.5): 1425.52
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 12.30
ACD/KOC (pH 7.4): 90.08
Polar Surface Area: 172 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 78.0±5.0 dyne/cm
Molar Volume: 437.5±5.0 cm3

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