ChemSpider 2D Image | N-[(3S,4S,6R)-4-Hydroxy-7-(isobutylamino)-2,6-dimethyl-7-oxo-3-heptanyl]-Nalpha-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-nitro-L-phenylalaninamide | C27H44N4O7

N-[(3S,4S,6R)-4-Hydroxy-7-(isobutylamino)-2,6-dimethyl-7-oxo-3-heptanyl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-nitro-L-phenylalaninamide

  • Molecular FormulaC27H44N4O7
  • Average mass536.661 Da
  • Monoisotopic mass536.320984 Da
  • ChemSpider ID24678640

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-2-[[(1S,2S,4R)-2-hydroxy-4-methyl-1-(1-methylethyl)-5-[(2-methylpropyl)amino]-5-oxopentyl]amino]-1-[(4-nitrophenyl)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[(3S,4S,6R)-4-Hydroxy-7-(isobutylamino)-2,6-dimethyl-7-oxo-3-heptanyl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-nitro-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(3S,4S,6R)-4-Hydroxy-7-(isobutylamino)-2,6-dimethyl-7-oxo-3-heptanyl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-nitro-L-phenylalaninamide [ACD/IUPAC Name]
N-[(3S,4S,6R)-4-Hydroxy-7-(isobutylamino)-2,6-diméthyl-7-oxo-3-heptanyl]-Nα-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-nitro-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 766.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 417.3±32.9 °C
Index of Refraction: 1.524
Molar Refractivity: 144.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 367.11
ACD/KOC (pH 5.5): 2385.00
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 366.92
ACD/KOC (pH 7.4): 2383.74
Polar Surface Area: 163 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 471.7±3.0 cm3

Click to predict properties on the Chemicalize site


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