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Search term: DPENGEYUBPGRBN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S)-2-{(2R,3R)-3-Hydroxy-2-[(methoxyacetyl)amino]-4-methylpentanoyl}-N-[(2S,3S)-3-hydroxy-1-phenyl-2-pentanyl]hexahydro-3-pyridazinecarboxamide | C25H40N4O6

(3S)-2-{(2R,3R)-3-Hydroxy-2-[(methoxyacetyl)amino]-4-methylpentanoyl}-N-[(2S,3S)-3-hydroxy-1-phenyl-2-pentanyl]hexahydro-3-pyridazinecarboxamide

  • Molecular FormulaC25H40N4O6
  • Average mass492.608 Da
  • Monoisotopic mass492.294800 Da
  • ChemSpider ID28288933

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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(3S)-2-{(2R,3R)-3-Hydroxy-2-[(2-méthoxyacétyl)amino]-4-méthylpentanoyl}-N-[(2S,3S)-3-hydroxy-1-phényl-2-pentanyl]hexahydro-3-pyridazinecarboxamide [French] [ACD/IUPAC Name]
(3S)-2-{(2R,3R)-3-Hydroxy-2-[(methoxyacetyl)amino]-4-methylpentanoyl}-N-[(2S,3S)-3-hydroxy-1-phenyl-2-pentanyl]hexahydro-3-pyridazincarboxamid [German] [ACD/IUPAC Name]
(3S)-2-{(2R,3R)-3-Hydroxy-2-[(methoxyacetyl)amino]-4-methylpentanoyl}-N-[(2S,3S)-3-hydroxy-1-phenyl-2-pentanyl]hexahydro-3-pyridazinecarboxamide [ACD/IUPAC Name]
actinoramide C
E'Actinoramide C'

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.542
Molar Refractivity: 131.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.59
ACD/KOC (pH 5.5): 68.68
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.59
ACD/KOC (pH 7.4): 68.72
Polar Surface Area: 140 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 416.3±3.0 cm3

Click to predict properties on the Chemicalize site


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