ChemSpider 2D Image | (4,12-Dihydroxy-11-methoxy-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 | C35H29NO12

(4,12-Dihydroxy-11-methoxy-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 FormulaC35H29NO12
  • Average mass655.604 Da
  • Monoisotopic mass655.168945 Da
  • ChemSpider ID2300120

More details:

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

(4,12-Dihydroxy-11-methoxy-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]
(4,12-Dihydroxy-11-methoxy-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 (4,12-dihydroxy-11-méthoxy-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-4,12-dihydroxy-11-methoxy-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]
128969-89-1 [RN]
Citreamicin zeta
LL E19085 zeta
LL-E19085zeta

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

Density: 1.6±0.1 g/cm3
Boiling Point: 895.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.4±3.0 kJ/mol
Flash Point: 495.6±34.3 °C
Index of Refraction: 1.716
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.90
ACD/KOC (pH 5.5): 240.48
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 12.76
ACD/KOC (pH 7.4): 205.91
Polar Surface Area: 183 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 85.0±5.0 dyne/cm
Molar Volume: 413.8±5.0 cm3

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