Found 87 results

Search term: MF = 'C_{36}H_{43}N_{3}O_{6}'
ChemSpider 2D Image | (2S)-1-[(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)-2-piperidinecarboxamide | C36H43N3O6

(2S)-1-[(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)-2-piperidinecarboxamide

  • Molecular FormulaC36H43N3O6
  • Average mass613.743 Da
  • Monoisotopic mass613.315186 Da
  • ChemSpider ID23307507

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S)-1-[(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)-2-piperidincarboxamid [German] [ACD/IUPAC Name]
(2S)-1-[(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)-2-piperidinecarboxamide [ACD/IUPAC Name]
(2S)-1-[(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)-2-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(2S)-1-[(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)piperidine-2-carboxamide (non-preferred name)
(S)-N-(2,6-dimethylbenzyl)-1-((2S,4R)-4-benzyl-2-hydroxy-5-((3S,4S)-3-hydroxychroman-4-ylamino)-5-oxopentanoyl)piperidine-2-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: 941.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.5±3.0 kJ/mol
Flash Point: 523.0±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 171.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 397.99
ACD/KOC (pH 5.5): 2526.91
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 397.99
ACD/KOC (pH 7.4): 2526.91
Polar Surface Area: 128 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 477.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement