ChemSpider 2D Image | N-{(1E)-13-[(10Z,12E,30E,32E)-23-{(10E)-11-[Formyl(methyl)amino]-2,8-dimethoxy-3,7-dimethyl-6-oxo-10-undecen-1-yl}-7,21,27-trihydroxy-9,15,29,35-tetramethoxy-22,22-dimethyl-5,25-dioxo-4,18,24,38-tetra
oxa-39,40-diazatricyclo[34.2.1.1~16,19~]tetraconta-1(39),10,12,16,19(40),30,32,36-octaen-3-yl]-12-hydroxy-4,10-dimethoxy-5,9,13-trimethyl-6-oxo-1-tetradecen-1-yl}-N-methylformamide | C78H124N4O22

N-{(1E)-13-[(10Z,12E,30E,32E)-23-{(10E)-11-[Formyl(methyl)amino]-2,8-dimethoxy-3,7-dimethyl-6-oxo-10-undecen-1-yl}-7,21,27-trihydroxy-9,15,29,35-tetramethoxy-22,22-dimethyl-5,25-dioxo-4,18,24,38-tetra oxa-39,40-diazatricyclo[34.2.1.116,19]tetraconta-1(39),10,12,16,19(40),30,32,36-octaen-3-yl]-12-hydroxy-4,10-dimethoxy-5,9,13-trimethyl-6-oxo-1-tetradecen-1-yl}-N-methylformamide

  • Molecular FormulaC78H124N4O22
  • Average mass1469.833 Da
  • Monoisotopic mass1468.870728 Da
  • ChemSpider ID78444150
  • Double-bond stereo - Double-bond stereo


More details:






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

Formamide, N-[(1E)-13-[(10Z,12E,30E,32E)-23-[(10E)-11-(formylmethylamino)-2,8-dimethoxy-3,7-dimethyl-6-oxo-10-undecen-1-yl]-7,21,27-trihydroxy-9,15,29,35-tetramethoxy-22,22-dimethyl-5,25-dioxo-4,18,24 ;,38-tetraoxa-39,40-diazatricyclo[34.2.1.116,19]tetraconta-1(39),10,12,16,19(40),30,32,36-octaen-3-yl]-12-hydroxy-4,10-dimethoxy-5,9,13-trimethyl-6-oxo-1-tetradecen-1-yl]-N-methyl- [ACD/Index Name]
N-{(1E)-13-[(10Z,12E,30E,32E)-23-{(10E)-11-[Formyl(methyl)amino]-2,8-dimethoxy-3,7-dimethyl-6-oxo-10-undecen-1-yl}-7,21,27-trihydroxy-9,15,29,35-tetramethoxy-22,22-dimethyl-5,25-dioxo-4,18,24,38-tetra ;oxa-39,40-diazatricyclo[34.2.1.116,19]tetraconta-1(39),10,12,16,19(40),30,32,36-octaen-3-yl]-12-hydroxy-4,10-dimethoxy-5,9,13-trimethyl-6-oxo-1-tetradecen-1-yl}-N-methylformamid [German] [ACD/IUPAC Name]
N-{(1E)-13-[(10Z,12E,30E,32E)-23-{(10E)-11-[Formyl(methyl)amino]-2,8-dimethoxy-3,7-dimethyl-6-oxo-10-undecen-1-yl}-7,21,27-trihydroxy-9,15,29,35-tetramethoxy-22,22-dimethyl-5,25-dioxo-4,18,24,38-tetra ;oxa-39,40-diazatricyclo[34.2.1.116,19]tetraconta-1(39),10,12,16,19(40),30,32,36-octaen-3-yl]-12-hydroxy-4,10-dimethoxy-5,9,13-trimethyl-6-oxo-1-tetradecen-1-yl}-N-methylformamide [ACD/IUPAC Name]
N-{(1E)-13-[(10Z,12E,30E,32E)-23-{(10E)-11-[Formyl(méthyl)amino]-2,8-diméthoxy-3,7-diméthyl-6-oxo-10-undécén-1-yl}-7,21,27-trihydroxy-9,15,29,35-tétraméthoxy-22,22-diméthyl-5,25-dioxo-4,18,24,38-tétra ;oxa-39,40-diazatricyclo[34.2.1.116,19]tétraconta-1(39),10,12,16,19(40),30,32,36-octaén-3-yl]-12-hydroxy-4,10-diméthoxy-5,9,13-triméthyl-6-oxo-1-tétradécén-1-yl}-N-méthylformamide [French] [ACD/IUPAC Name]
Isorhizopodin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1289.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 202.5±3.0 kJ/mol
Flash Point: 733.9±34.3 °C
Index of Refraction: 1.546
Molar Refractivity: 394.9±0.4 cm3
#H bond acceptors: 26
#H bond donors: 4
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1751.38
ACD/KOC (pH 5.5): 7297.70
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1751.69
ACD/KOC (pH 7.4): 7299.00
Polar Surface Area: 334 Å2
Polarizability: 156.6±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 1247.4±5.0 cm3

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