ChemSpider 2D Image | malyngamide Q | C29H45ClN2O7

malyngamide Q

  • Molecular FormulaC29H45ClN2O7
  • Average mass569.130 Da
  • Monoisotopic mass568.291504 Da
  • ChemSpider ID10242627

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4E,7S)-N-{(2Z,4E)-2-(Chlormethylen)-6-[(2R)-2-(hydroxymethyl)-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methoxy-6-oxo-4-hexen-1-yl}-7-methoxy-4-tetradecenamid [German] [ACD/IUPAC Name]
(4E,7S)-N-{(2Z,4E)-2-(Chloromethylene)-6-[(2R)-2-(hydroxymethyl)-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methoxy-6-oxo-4-hexen-1-yl}-7-methoxy-4-tetradecenamide [ACD/IUPAC Name]
(4E,7S)-N-{(2Z,4E)-2-(Chlorométhylène)-6-[(2R)-2-(hydroxyméthyl)-3-méthoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-méthoxy-6-oxo-4-hexén-1-yl}-7-méthoxy-4-tétradécénamide [French] [ACD/IUPAC Name]
4-Tetradecenamide, N-[(2Z,4E)-2-(chloromethylene)-6-[(2R)-2,5-dihydro-2-(hydroxymethyl)-3-methoxy-5-oxo-1H-pyrrol-1-yl]-4-methoxy-6-oxo-4-hexen-1-yl]-7-methoxy-, (4E,7S)- [ACD/Index Name]
malyngamide Q

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

Density: 1.2±0.1 g/cm3
Boiling Point: 737.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 399.6±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 152.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1898.52
ACD/KOC (pH 5.5): 7731.90
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1898.52
ACD/KOC (pH 7.4): 7731.90
Polar Surface Area: 114 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 489.1±5.0 cm3

Click to predict properties on the Chemicalize site


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