ChemSpider 2D Image | (5S)-N-{(2S,3R)-4-[(1,3-Benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide | C31H35N3O9S

(5S)-N-{(2S,3R)-4-[(1,3-Benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide

  • Molecular FormulaC31H35N3O9S
  • Average mass625.689 Da
  • Monoisotopic mass625.209412 Da
  • ChemSpider ID25058158

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
(5S)-N-{(2S,3R)-4-[(1,3-Benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-carboxamid [German] [ACD/IUPAC Name]
(5S)-N-{(2S,3R)-4-[(1,3-Benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide [ACD/IUPAC Name]
(5S)-N-{(2S,3R)-4-[(1,3-Benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phényl-2-butanyl}-3-(2-hydroxyphényl)-2-oxo-1,3-oxazolidine-5-carboxamide [French] [ACD/IUPAC Name]
5-Oxazolidinecarboxamide, N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-(2-hydroxyphenyl)-2-oxo-, (5S)- [ACD/Index Name]
K53

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: 1.635
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 463.18
ACD/KOC (pH 5.5): 2816.61
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 457.69
ACD/KOC (pH 7.4): 2783.22
Polar Surface Area: 163 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 449.5±3.0 cm3

Click to predict properties on the Chemicalize site


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