ChemSpider 2D Image | N-[(2Z,4E)-7-{3,4-Dihydroxy-5-[(1Z,3E,5Z)-7-(4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadien-1-yl]-2-{2,3,4-trihydro xy-5,5-dimethyl-6-[(1E,3Z)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name) | C43H60N2O12

N-[(2Z,4E)-7-{3,4-Dihydroxy-5-[(1Z,3E,5Z)-7-(4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadien-1-yl]-2-{2,3,4-trihydro xy-5,5-dimethyl-6-[(1E,3Z)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name)

  • Molecular FormulaC43H60N2O12
  • Average mass796.943 Da
  • Monoisotopic mass796.414612 Da
  • ChemSpider ID35013204

  • Double-bond stereo - Double-bond stereo

More details:

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

N-[(2Z,4E)-7-{3,4-Dihydroxy-5-[(1Z,3E,5Z)-7-(4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadien-1-yl]-2-{2,3,4-trihydro xy-5,5-dimethyl-6-[(1E,3Z)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamid (non-preferred name) [German] [ACD/IUPAC Name]
N-[(2Z,4E)-7-{3,4-Dihydroxy-5-[(1Z,3E,5Z)-7-(4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadien-1-yl]-2-{2,3,4-trihydro xy-5,5-dimethyl-6-[(1E,3Z)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name) [ACD/IUPAC Name]
N-[(2Z,4E)-7-{3,4-Dihydroxy-5-[(1Z,3E,5Z)-7-(4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl)-6-méthyl-7-oxo-1,3,5-heptatrién-1-yl]tétrahydro-2-furanyl}-6-méthoxy-5-méthyl-2,4-octadién-1-yl]-2-{2,3,4-trihydro xy-5,5-diméthyl-6-[(1E,3Z)-1,3-pentadién-1-yl]tétrahydro-2H-pyran-2-yl}butanamide (non-preferred name) [French] [ACD/IUPAC Name]
Antibiotic MYC 8003
Delvomycin
Kirromycin
mocimycin
N-[(2Z,4E)-7-{3,4-dihydroxy-5-[(1Z,3E,5Z)-7-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]oxolan-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-{2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]oxan-2-yl}butanamide

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

MYC 8003 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 951.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 157.1±6.0 kJ/mol
Flash Point: 529.1±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 219.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 2.66
ACD/KOC (pH 5.5): 35.53
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 224 Å2
Polarizability: 86.8±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 622.7±3.0 cm3

Click to predict properties on the Chemicalize site


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