ChemSpider 2D Image | mocimycin | C43H60N2O12

mocimycin

  • Molecular FormulaC43H60N2O12
  • Average mass796.943 Da
  • Monoisotopic mass796.414612 Da
  • ChemSpider ID4883396
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(2-hydroxy-4-oxo-1,4-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadie n-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamid [German] [ACD/IUPAC Name]
(2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(2-hydroxy-4-oxo-1,4-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadie n-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(2-hydroxy-4-oxo-1,4-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadie n-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide [ACD/IUPAC Name]
(2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(2-hydroxy-4-oxo-1,4-dihydro-3-pyridinyl)-6-méthyl-7-oxo-1,3,5-heptatrién-1-yl]tétrahydro-2-furanyl}-6-méthoxy-5-méthyl-2,4-octadié n-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-diméthyl-6-[(1E,3Z)-1,3-pentadién-1-yl]tétrahydro-2H-pyran-2-yl}butanamide [French] [ACD/IUPAC Name]
(2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(2-hydroxy-4-oxo-1,4-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadie n-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name) [ACD/IUPAC Name]
(2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(2-hydroxy-4-oxo-1,4-dihydro-3-pyridinyl)-6-méthyl-7-oxo-1,3,5-heptatrién-1-yl]tétrahydro-2-furanyl}-6-méthoxy-5-méthyl-2,4-octadié n-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-diméthyl-6-[(1E,3Z)-1,3-pentadién-1-yl]tétrahydro-2H-pyran-2-yl}butanamide (non-preferred name) [French] [ACD/IUPAC Name]
(2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]tetrahydrofuran-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name)
256-859-9 [EINECS]
50935-71-2 [RN]
Antibiotic MYC 8003
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MYC 8003 [DBID]
MYC-8003 [DBID]
NSC 316094 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 936.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 154.5±6.0 kJ/mol
Flash Point: 519.9±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: 2.06
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 22.12
ACD/LogD (pH 7.4): -0.95
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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