ChemSpider 2D Image | (3R)-4-Methyl-3-[({(3S)-2-[N-(3-methylbutanoyl)-beta-alanyl]hexahydro-3-pyridazinyl}carbonyl)amino]-2-oxopentyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate | C24H37N5O8

(3R)-4-Methyl-3-[({(3S)-2-[N-(3-methylbutanoyl)-β-alanyl]hexahydro-3-pyridazinyl}carbonyl)amino]-2-oxopentyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate

  • Molecular FormulaC24H37N5O8
  • Average mass523.579 Da
  • Monoisotopic mass523.264221 Da
  • ChemSpider ID8273821

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-4-Methyl-3-[({(3S)-2-[N-(3-methylbutanoyl)-β-alanyl]hexahydro-3-pyridazinyl}carbonyl)amino]-2-oxopentyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
(3R)-4-Methyl-3-[({(3S)-2-[N-(3-methylbutanoyl)-β-alanyl]hexahydro-3-pyridazinyl}carbonyl)amino]-2-oxopentyl-5-(hydroxymethyl)-1,2-oxazol-3-carboxylat [German] [ACD/IUPAC Name]
3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, (3R)-3-[[[(3S)-hexahydro-2-[3-[(3-methyl-1-oxobutyl)amino]-1-oxopropyl]-3-pyridazinyl]carbonyl]amino]-4-methyl-2-oxopentyl ester [ACD/Index Name]
5-(Hydroxyméthyl)-1,2-oxazole-3-carboxylate de (3R)-4-méthyl-3-[({(3S)-2-[N-(3-méthylbutanoyl)-β-alanyl]hexahydro-3-pyridazinyl}carbonyl)amino]-2-oxopentyle [French] [ACD/IUPAC Name]

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: 1.527
Molar Refractivity: 130.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.10
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.13
Polar Surface Area: 180 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 422.7±3.0 cm3

Click to predict properties on the Chemicalize site


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