ChemSpider 2D Image | malyngamide R | C30H47ClN2O7

malyngamide R

  • Molecular FormulaC30H47ClN2O7
  • Average mass583.156 Da
  • Monoisotopic mass582.307190 Da
  • ChemSpider ID10242628

  • 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-N-methyl-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-N-methyl-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-N-méthyl-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-N-methyl-, (4E,7S)- [ACD/Index Name]
malyngamide R

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

Density: 1.2±0.1 g/cm3
Boiling Point: 712.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.0±6.0 kJ/mol
Flash Point: 384.4±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 157.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3114.49
ACD/KOC (pH 5.5): 11019.49
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3114.50
ACD/KOC (pH 7.4): 11019.49
Polar Surface Area: 106 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 504.0±5.0 cm3

Click to predict properties on the Chemicalize site


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