ChemSpider 2D Image | (4R)-3-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino}-5-oxopentanoyl]-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide | C35H41N3O6S

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

  • Molecular FormulaC35H41N3O6S
  • Average mass631.781 Da
  • Monoisotopic mass631.271606 Da
  • ChemSpider ID439832

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R)-3-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino}-5-oxopentanoyl]-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(4R)-3-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino}-5-oxopentanoyl]-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
(4R)-3-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromén-4-yl]amino}-5-oxopentanoyl]-5,5-diméthyl-N-(2-méthylbenzyl)-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]
(R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chroman-4-ylcarbamoyl)-5-phenyl-pentanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid 2-methyl-benzylamide
CHEMBL52645

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

AIDS165965 [DBID]
AIDS-165965 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 952.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.3±3.0 kJ/mol
Flash Point: 530.0±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 175.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1306.62
ACD/KOC (pH 5.5): 5917.50
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1306.61
ACD/KOC (pH 7.4): 5917.48
Polar Surface Area: 154 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 475.7±5.0 cm3

Click to predict properties on the Chemicalize site


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