ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S,3R)-3-hydroxy-4-{methyl[(3S)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-oxo-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamate | C31H45N3O6

2-Methyl-2-propanyl [(2S,3R)-3-hydroxy-4-{methyl[(3S)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-oxo-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC31H45N3O6
  • Average mass555.706 Da
  • Monoisotopic mass555.330811 Da
  • ChemSpider ID422781

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2S,3R)-3-Hydroxy-4-{méthyl[(3S)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-2-oxo-4-phénylbutyl]amino}-1-phényl-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3R)-3-hydroxy-4-{methyl[(3S)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-oxo-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3R)-3-hydroxy-4-{methyl[(3S)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-oxo-4-phenylbutyl]amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-3-[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]methylamino]-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
[1S-[1R*(2S*,3R*)]]-[3-[[(1,1-Dimethyethoxy)carbonyl]-amino]-2-hydroxy-4-phenylbutyl]-methylamino]-2-oxo 1-phenylmethyl)propyl]carbamic acid, 1,1-dimethylethyl ester

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

AIDS097341 [DBID]
AIDS-097341 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 703.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 379.0±32.9 °C
Index of Refraction: 1.543
Molar Refractivity: 154.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 2244.42
ACD/KOC (pH 5.5): 6136.93
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7481.26
ACD/KOC (pH 7.4): 20456.08
Polar Surface Area: 117 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 491.3±3.0 cm3

Click to predict properties on the Chemicalize site


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