ChemSpider 2D Image | (3S)-2-{(2R,3R)-3-Hydroxy-2-[(methoxyacetyl)amino]-4-methylpentanoyl}-N-[(2S,3S,4S)-3-hydroxy-4-methyl-5-oxo-5-{[(3S)-2-oxo-3-pyrrolidinyl]amino}-1-phenyl-2-pentanyl]hexahydro-3-pyridazinecarboxamide (non-preferred name) | C30H46N6O8

(3S)-2-{(2R,3R)-3-Hydroxy-2-[(methoxyacetyl)amino]-4-methylpentanoyl}-N-[(2S,3S,4S)-3-hydroxy-4-methyl-5-oxo-5-{[(3S)-2-oxo-3-pyrrolidinyl]amino}-1-phenyl-2-pentanyl]hexahydro-3-pyridazinecarboxamide (non-preferred name)

  • Molecular FormulaC30H46N6O8
  • Average mass618.722 Da
  • Monoisotopic mass618.337708 Da
  • ChemSpider ID40256629

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S)-2-{(2R,3R)-3-Hydroxy-2-[(2-méthoxyacétyl)amino]-4-méthylpentanoyl}-N-[(2S,3S,4S)-3-hydroxy-4-méthyl-5-oxo-5-{[(3S)-2-oxo-3-pyrrolidinyl]amino}-1-phényl-2-pentanyl]hexahydro-3-pyridazinecarboxamid e (non-preferred name) [French] [ACD/IUPAC Name]
(3S)-2-{(2R,3R)-3-Hydroxy-2-[(methoxyacetyl)amino]-4-methylpentanoyl}-N-[(2S,3S,4S)-3-hydroxy-4-methyl-5-oxo-5-{[(3S)-2-oxo-3-pyrrolidinyl]amino}-1-phenyl-2-pentanyl]hexahydro-3-pyridazincarboxamid (n on-preferred name) [German] [ACD/IUPAC Name]
(3S)-2-{(2R,3R)-3-Hydroxy-2-[(methoxyacetyl)amino]-4-methylpentanoyl}-N-[(2S,3S,4S)-3-hydroxy-4-methyl-5-oxo-5-{[(3S)-2-oxo-3-pyrrolidinyl]amino}-1-phenyl-2-pentanyl]hexahydro-3-pyridazinecarboxamide (non-preferred name) [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 161.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -2.21
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.81
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.82
Polar Surface Area: 198 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 476.2±5.0 cm3

Click to predict properties on the Chemicalize site


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