ChemSpider 2D Image | malyngamide A | C29H45ClN2O6

malyngamide A

  • Molecular FormulaC29H45ClN2O6
  • Average mass553.130 Da
  • Monoisotopic mass552.296631 Da
  • ChemSpider ID10469767

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4E,7S)-N-[(2E,4E)-2-(Chlormethylen)-4-methoxy-6-(4-methoxy-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-6-oxo-4-hexen-1-yl]-7-methoxy-N-methyl-4-tetradecenamid [German] [ACD/IUPAC Name]
(4E,7S)-N-[(2E,4E)-2-(Chloromethylene)-4-methoxy-6-(4-methoxy-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-6-oxo-4-hexen-1-yl]-7-methoxy-N-methyl-4-tetradecenamide [ACD/IUPAC Name]
(4E,7S)-N-[(2E,4E)-2-(Chlorométhylène)-4-méthoxy-6-(4-méthoxy-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-6-oxo-4-hexén-1-yl]-7-méthoxy-N-méthyl-4-tétradécénamide [French] [ACD/IUPAC Name]
4-Tetradecenamide, N-((2E,4E)-2-(chloromethylene)-6-(2,5-dihydro-4-methoxy-2-oxo-1H-pyrrol-1-yl)-4-methoxy-6-oxo-4-hexenyl)-7-methoxy-N-methyl-, (4E,7S)-
4-Tetradecenamide, N-[(2E,4E)-2-(chloromethylene)-6-(2,5-dihydro-4-methoxy-2-oxo-1H-pyrrol-1-yl)-4-methoxy-6-oxo-4-hexen-1-yl]-7-methoxy-N-methyl-, (4E,7S)- [ACD/Index Name]
malyngamide A
(E,7S)-N-[(E,2E)-2-(chloromethylene)-6-keto-6-(2-keto-4-methoxy-3-pyrrolin-1-yl)-4-methoxy-hex-4-enyl]-7-methoxy-N-methyl-tetradec-4-enamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 673.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 360.9±31.5 °C
Index of Refraction: 1.530
Molar Refractivity: 151.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10229.90
ACD/KOC (pH 5.5): 25813.99
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10229.90
ACD/KOC (pH 7.4): 25813.99
Polar Surface Area: 85 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 490.1±5.0 cm3

Click to predict properties on the Chemicalize site


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