Found 1 result

Search term: ZUZCCBDSIBRLQK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1,2,3a,4,8,14,15,17-Octahydro-16-hydroxy-11,12-dimethoxy-1,3a-dimethyl-2,8,14,15,17-pentaoxo(1)benzopyran(2',3':6,7)naphth(2,1-g)oxazolo(3,2-b)isoquinolin-1-yl)methyl 2-methylpropanoate | C35H29NO12

(1,2,3a,4,8,14,15,17-Octahydro-16-hydroxy-11,12-dimethoxy-1,3a-dimethyl-2,8,14,15,17-pentaoxo(1)benzopyran(2',3':6,7)naphth(2,1-g)oxazolo(3,2-b)isoquinolin-1-yl)methyl 2-methylpropanoate

  • Molecular FormulaC35H29NO12
  • Average mass655.604 Da
  • Monoisotopic mass655.168945 Da
  • ChemSpider ID2340416

More details:

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

(1,2,3a,4,8,14,15,17-Octahydro-16-hydroxy-11,12-dimethoxy-1,3a-dimethyl-2,8,14,15,17-pentaoxo(1)benzopyran(2',3':6,7)naphth(2,1-g)oxazolo(3,2-b)isoquinolin-1-yl)methyl 2-methylpropanoate
(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-2-methylpropanoat [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 2-methylpropanoate [ACD/IUPAC Name]
2-Méthylpropanoate 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]
Propanoic acid, 2-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)benzopyran(2',3':6,7)naphth(2,1-g)oxazolo(3,2-b)isoquinolin-1-yl)methyl ester
Propanoic acid, 2-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 este r [ACD/Index Name]
128999-30-4 [RN]
Citreamicin β
LL E19085β

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

Density: 1.6±0.1 g/cm3
Boiling Point: 883.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.7±3.0 kJ/mol
Flash Point: 487.9±34.3 °C
Index of Refraction: 1.701
Molar Refractivity: 163.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 99.19
ACD/KOC (pH 5.5): 879.66
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 6.24
ACD/KOC (pH 7.4): 55.36
Polar Surface Area: 172 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 79.8±5.0 dyne/cm
Molar Volume: 421.5±5.0 cm3

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