ChemSpider 2D Image | (4R)-N-[(1S,2R)-2-Hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[(3-methylphenoxy)acetyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | C34H39N3O6S

(4R)-N-[(1S,2R)-2-Hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[(3-methylphenoxy)acetyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

  • Molecular FormulaC34H39N3O6S
  • Average mass617.755 Da
  • Monoisotopic mass617.255981 Da
  • ChemSpider ID24688588

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R)-N-[(1S,2R)-2-Hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[(3-methylphenoxy)acetyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(4R)-N-[(1S,2R)-2-Hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[(3-methylphenoxy)acetyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
(4R)-N-[(1S,2R)-2-Hydroxy-2,3-dihydro-1H-indén-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[2-(3-méthylphénoxy)acétyl]amino}-4-phénylbutanoyl]-5,5-diméthyl-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolidinecarboxamide, N-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-[[2-(3-methylphenoxy)acetyl]amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-, (4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 948.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.6±3.0 kJ/mol
Flash Point: 527.2±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 170.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1662.03
ACD/KOC (pH 5.5): 7029.59
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1662.01
ACD/KOC (pH 7.4): 7029.53
Polar Surface Area: 154 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 459.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement