ChemSpider 2D Image | (5S)-N-[(2S,3S,5S)-3-Hydroxy-5-{[(2S)-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide | C37H45N5O6

(5S)-N-[(2S,3S,5S)-3-Hydroxy-5-{[(2S)-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide

  • Molecular FormulaC37H45N5O6
  • Average mass655.783 Da
  • Monoisotopic mass655.336975 Da
  • ChemSpider ID13136295

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5s)-N-[(1s,2s,4s)-1-Benzyl-2-Hydroxy-4-{[(2s)-3-Methyl-2-(2-Oxotetrahydropyrimidin-1(2h)-Yl)butanoyl]amino}-5-Phenylpentyl]-2-Oxo-3-Phenyl-1,3-Oxazolidine-5-Carboxamide
(5S)-N-[(2S,3S,5S)-3-Hydroxy-5-{[(2S)-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]-2-oxo-3-phenyl-1,3-oxazolidin-5-carboxamid [German] [ACD/IUPAC Name]
(5S)-N-[(2S,3S,5S)-3-Hydroxy-5-{[(2S)-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanoyl]amino}-1,6-diphenyl-2-hexanyl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide [ACD/IUPAC Name]
(5S)-N-[(2S,3S,5S)-3-Hydroxy-5-{[(2S)-3-méthyl-2-(2-oxotétrahydro-1(2H)-pyrimidinyl)butanoyl]amino}-1,6-diphényl-2-hexanyl]-2-oxo-3-phényl-1,3-oxazolidine-5-carboxamide [French] [ACD/IUPAC Name]
1(2H)-Pyrimidineacetamide, tetrahydro-N-[(1S,3S,4S)-3-hydroxy-4-[[[(5S)-2-oxo-3-phenyl-5-oxazolidinyl]carbonyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-α-(1-methylethyl)-2-oxo-, (αS)- [ACD/Index Name]
Hydroxyethylene Isostere-Based Compound, 14a
μ0

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

Density: 1.2±0.1 g/cm3
Boiling Point: 954.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.6±3.0 kJ/mol
Flash Point: 531.0±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 180.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1191.78
ACD/KOC (pH 5.5): 5536.85
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1191.78
ACD/KOC (pH 7.4): 5536.85
Polar Surface Area: 140 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 527.1±3.0 cm3

Click to predict properties on the Chemicalize site


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