ChemSpider 2D Image | (4R)-N-[4-(dihydroxyamino)benzyl]-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-L-prolinamide | C18H22N4O6

(4R)-N-[4-(dihydroxyamino)benzyl]-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-L-prolinamide

  • Molecular FormulaC18H22N4O6
  • Average mass390.391 Da
  • Monoisotopic mass390.153931 Da
  • ChemSpider ID35034733
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4R)-N-[4-(Dihydroxyamino)benzyl]-4-hydroxy-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-N-[4-(Dihydroxyamino)benzyl]-4-hydroxy-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolinamide [ACD/IUPAC Name]
(4R)-N-[4-(dihydroxyamino)benzyl]-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-L-prolinamide
(4R)-N-[4-(Dihydroxyamino)benzyl]-4-hydroxy-1-[2-(3-méthyl-1,2-oxazol-5-yl)acétyl]-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[[4-(dihydroxyamino)phenyl]methyl]-4-hydroxy-1-[2-(3-methyl-5-isoxazolyl)acetyl]-, (2S,4R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 97.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.62
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.08
ACD/LogD (pH 7.4): -2.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 84.7±3.0 dyne/cm
Molar Volume: 261.8±3.0 cm3

Click to predict properties on the Chemicalize site






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