ChemSpider 2D Image | padanamide A | C31H47N7O9

padanamide A

  • Molecular FormulaC31H47N7O9
  • Average mass661.746 Da
  • Monoisotopic mass661.343506 Da
  • ChemSpider ID28185039

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S)-N-[(2S,3S,4S)-5-{[(3S)-1-Carbamoyl-2-oxo-3-pyrrolidinyl]amino}-3-hydroxy-4-méthyl-5-oxo-1-phényl-2-pentanyl]-2-{(2R,3R)-3-hydroxy-2-[(2-méthoxyacétyl)amino]-4-méthylpentanoyl}hexahydro-3-pyridazi necarboxamide [French] [ACD/IUPAC Name]
(3S)-N-[(2S,3S,4S)-5-{[(3S)-1-Carbamoyl-2-oxo-3-pyrrolidinyl]amino}-3-hydroxy-4-methyl-5-oxo-1-phenyl-2-pentanyl]-2-{(2R,3R)-3-hydroxy-2-[(methoxyacetyl)amino]-4-methylpentanoyl}hexahydro-3-pyridazinc arboxamid [German] [ACD/IUPAC Name]
(3S)-N-[(2S,3S,4S)-5-{[(3S)-1-Carbamoyl-2-oxo-3-pyrrolidinyl]amino}-3-hydroxy-4-methyl-5-oxo-1-phenyl-2-pentanyl]-2-{(2R,3R)-3-hydroxy-2-[(methoxyacetyl)amino]-4-methylpentanoyl}hexahydro-3-pyridazine carboxamide [ACD/IUPAC Name]
1314881-80-5 [RN]
padanamide A
(3S)-N-[(2S,3S,4S)-5-[[(3S)-1-carbamoyl-2-oxopyrrolidin-3-yl]amino]-3-hydroxy-4-methyl-5-oxo-1-phenylpentan-2-yl]-2-[(2R,3R)-3-hydroxy-2-[(2-methoxyacetyl)amino]-4-methylpentanoyl]diazinane-3-carboxamide
actinoramide A

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: 1.608
Molar Refractivity: 169.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -3.24
ACD/LogD (pH 5.5): -2.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.82
ACD/LogD (pH 7.4): -2.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.82
Polar Surface Area: 233 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 491.1±5.0 cm3

Click to predict properties on the Chemicalize site


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