ChemSpider 2D Image | 2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide | C24H31N3O5

2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide

  • Molecular FormulaC24H31N3O5
  • Average mass441.520 Da
  • Monoisotopic mass441.226379 Da
  • ChemSpider ID29400771

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-2,3,4-trideoxy-4-{[(2-methoxyphenyl)carbamoyl]amino}-1-(2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)-D-threo-hexitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,3,4-tridesoxy-4-{[(2-methoxyphenyl)carbamoyl]amino}-1-(2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)-D-threo-hexitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,3,4-tridésoxy-4-{[(2-méthoxyphényl)carbamoyl]amino}-1-(2-oxo-2-{[(1R)-1-phényléthyl]amino}éthyl)-D-thréo-hexitol [French] [ACD/IUPAC Name]
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 665.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.4±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 121.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.48
ACD/KOC (pH 5.5): 509.37
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.47
ACD/KOC (pH 7.4): 509.35
Polar Surface Area: 109 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 354.9±5.0 cm3

Click to predict properties on the Chemicalize site


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