ChemSpider 2D Image | 2-(4-Acetylphenoxy)-N-[(2S,3R,5S)-5-{[(4-acetylphenoxy)acetyl]amino}-3-hydroxy-1,6-diphenyl-2-hexanyl]acetamide | C38H40N2O7

2-(4-Acetylphenoxy)-N-[(2S,3R,5S)-5-{[(4-acetylphenoxy)acetyl]amino}-3-hydroxy-1,6-diphenyl-2-hexanyl]acetamide

  • Molecular FormulaC38H40N2O7
  • Average mass636.733 Da
  • Monoisotopic mass636.283569 Da
  • ChemSpider ID2280339

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-(4-Acetylphenoxy)-N-[(2S,3R,5S)-5-{[(4-acetylphenoxy)acetyl]amino}-3-hydroxy-1,6-diphenyl-2-hexanyl]acetamid [German] [ACD/IUPAC Name]
2-(4-Acetylphenoxy)-N-[(2S,3R,5S)-5-{[(4-acetylphenoxy)acetyl]amino}-3-hydroxy-1,6-diphenyl-2-hexanyl]acetamide [ACD/IUPAC Name]
2-(4-Acétylphénoxy)-N-[(2S,3R,5S)-5-{[2-(4-acétylphénoxy)acétyl]amino}-3-hydroxy-1,6-diphényl-2-hexanyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-(4-acetylphenoxy)-N-[(1S,2R,4S)-4-[[2-(4-acetylphenoxy)acetyl]amino]-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]- [ACD/Index Name]

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

AIDS215954 [DBID]
AIDS-215954 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 909.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.6±3.0 kJ/mol
Flash Point: 504.0±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 178.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4382.60
ACD/KOC (pH 5.5): 14071.66
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4382.60
ACD/KOC (pH 7.4): 14071.65
Polar Surface Area: 131 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 525.4±3.0 cm3

Click to predict properties on the Chemicalize site


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