ChemSpider 2D Image | N~5~-[O-(2-Hydroxybenzoyl)-D-seryl-L-alanyl-beta-alanyl]-N~5~-hydroxy-N-[(3S)-1-hydroxy-2-oxo-3-piperidinyl]-N~2~-methylornithinamide | C27H41N7O10

N5-[O-(2-Hydroxybenzoyl)-D-seryl-L-alanyl-β-alanyl]-N5-hydroxy-N-[(3S)-1-hydroxy-2-oxo-3-piperidinyl]-N2-methylornithinamide

  • Molecular FormulaC27H41N7O10
  • Average mass623.655 Da
  • Monoisotopic mass623.291504 Da
  • ChemSpider ID78438656

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

N5-[O-(2-Hydroxybenzoyl)-D-seryl-L-alanyl-β-alanyl]-N5-hydroxy-N-[(3S)-1-hydroxy-2-oxo-3-piperidinyl]-N2-methylornithinamid [German] [ACD/IUPAC Name]
N5-[O-(2-Hydroxybenzoyl)-D-seryl-L-alanyl-β-alanyl]-N5-hydroxy-N-[(3S)-1-hydroxy-2-oxo-3-piperidinyl]-N2-methylornithinamide [ACD/IUPAC Name]
N5-[O-(2-Hydroxybenzoyl)-D-séryl-L-alanyl-β-alanyl]-N5-hydroxy-N-[(3S)-1-hydroxy-2-oxo-3-pipéridinyl]-N2-méthylornithinamide [French] [ACD/IUPAC Name]
Ornithinamide, N5-[O-(2-hydroxybenzoyl)-D-seryl-L-alanyl-β-alanyl]-N5-hydroxy-N-[(3S)-1-hydroxy-2-oxo-3-piperidinyl]-N2-methyl- [ACD/Index Name]
Madurastatin A3

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 154.9±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -3.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 440.1±5.0 cm3

Click to predict properties on the Chemicalize site


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