ChemSpider 2D Image | (4R)-N-Benzyl-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-1,3-thiazolidine-4-carboxamide | C34H39N3O6S

(4R)-N-Benzyl-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-1,3-thiazolidine-4-carboxamide

  • Molecular FormulaC34H39N3O6S
  • Average mass617.755 Da
  • Monoisotopic mass617.255981 Da
  • ChemSpider ID2276143
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(4R)-N-Benzyl-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-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(4R)-N-Benzyl-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-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
(4R)-N-Benzyl-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-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 benzylamide

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

AIDS169100 [DBID]
AIDS-169100 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 947.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.5±3.0 kJ/mol
Flash Point: 527.1±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 170.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 286.30
ACD/KOC (pH 5.5): 1996.16
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 286.30
ACD/KOC (pH 7.4): 1996.15
Polar Surface Area: 154 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 460.2±5.0 cm3

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