ChemSpider 2D Image | 4-[(5S)-5-[(2R,3Z,5R,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3,5-dimethyl-14-oxooxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]-2,6-piperidinedione | C27H39NO7

4-[(5S)-5-[(2R,3Z,5R,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3,5-dimethyl-14-oxooxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]-2,6-piperidinedione

  • Molecular FormulaC27H39NO7
  • Average mass489.601 Da
  • Monoisotopic mass489.272644 Da
  • ChemSpider ID21106454

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

2(3H)-pyridinone, 4,5-dihydro-6-hydroxy-4-[(5S)-5-[(2R,5R,6S,7S)-6-hydroxy-7-methoxy-3,5-dimethyl-14-oxooxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]-
2,6-Piperidinedione, 4-[(5S)-5-[(2R,3Z,5R,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3,5-dimethyl-14-oxooxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]- [ACD/Index Name]
314245-65-3 [RN]
4-[(5S)-5-[(2R,3Z,5R,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3,5-dimethyl-14-oxooxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl]-2,6-piperidinedione
4-{(5S)-5-[(2R,3Z,5R,6S,7S,8E,12E)-6-Hydroxy-7-methoxy-3,5-dimethyl-14-oxooxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl}-2,6-piperidindion [German] [ACD/IUPAC Name]
4-{(5S)-5-[(2R,3Z,5R,6S,7S,8E,12E)-6-Hydroxy-7-methoxy-3,5-dimethyl-14-oxooxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl}-2,6-piperidinedione [ACD/IUPAC Name]
4-{(5S)-5-[(2R,3Z,5R,6S,7S,8E,12E)-6-Hydroxy-7-méthoxy-3,5-diméthyl-14-oxooxacyclotétradéca-3,8,12-trién-2-yl]-4-oxohexyl}-2,6-pipéridinedione [French] [ACD/IUPAC Name]
(+)-migrastatin
4-[(S)-5-((2R,5R,6S,7S)-6-Hydroxy-7-methoxy-3,5-dimethyl-14-oxo-oxacyclotetradeca-3,8,12-trien-2-yl)-4-oxo-hexyl]-piperidine-2,6-dione
4-{(5S)-5-[(2R,3Z,5R,6S,7S,8E,12E)-6-hydroxy-7-methoxy-3,5-dimethyl-14-oxooxacyclotetradeca-3,8,12-trien-2-yl]-4-oxohexyl}piperidine-2,6-dione
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  • Miscellaneous

    • Chemical Class:

      A 14-membered macrolide which is isolated from <ital>Streptomyces</ital> sp.MK929-43F1 and inhibits cell migration of human esophageal cancer EC17 cells and mouse melanona B16 cells. ChEBI CHEBI:66389
      A 14-membered macrolide which is isolated from Streptomyces sp.MK929-43F1 and inhibits cell migration of human esophageal cancer EC17 cells and mouse melanona B16 cells. ChEBI CHEBI:66389

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

Density: 1.2±0.1 g/cm3
Boiling Point: 707.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.3±6.0 kJ/mol
Flash Point: 381.9±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.17
ACD/KOC (pH 5.5): 573.83
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.17
ACD/KOC (pH 7.4): 573.80
Polar Surface Area: 119 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 420.9±5.0 cm3

Click to predict properties on the Chemicalize site


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