ChemSpider 2D Image | (4S)-3-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino}-5-oxopentanoyl]-N-(2,6-dimethylbenzyl)-5,5-dimethyl-1,3-oxazolidine-4-carboxamide | C36H43N3O7

(4S)-3-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino}-5-oxopentanoyl]-N-(2,6-dimethylbenzyl)-5,5-dimethyl-1,3-oxazolidine-4-carboxamide

  • Molecular FormulaC36H43N3O7
  • Average mass629.742 Da
  • Monoisotopic mass629.310120 Da
  • ChemSpider ID8114744

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4S)-3-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino}-5-oxopentanoyl]-N-(2,6-dimethylbenzyl)-5,5-dimethyl-1,3-oxazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(4S)-3-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino}-5-oxopentanoyl]-N-(2,6-dimethylbenzyl)-5,5-dimethyl-1,3-oxazolidine-4-carboxamide [ACD/IUPAC Name]
(4S)-3-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromén-4-yl]amino}-5-oxopentanoyl]-N-(2,6-diméthylbenzyl)-5,5-diméthyl-1,3-oxazolidine-4-carboxamide [French] [ACD/IUPAC Name]
(S)-N-(2,6-dimethylbenzyl)-3-((2S,4R)-4-benzyl-2-hydroxy-5-((3S,4S)-3-hydroxychroman-4-ylamino)-5-oxopentanoyl)-5,5-dimethyloxazolidine-4-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 941.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.6±3.0 kJ/mol
Flash Point: 523.3±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 173.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 692.57
ACD/KOC (pH 5.5): 3756.67
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 692.56
ACD/KOC (pH 7.4): 3756.66
Polar Surface Area: 137 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 483.5±5.0 cm3

Click to predict properties on the Chemicalize site


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