ChemSpider 2D Image | Nalpha-{[(1S,3S,4R,5R)-3-{[(4-Acetylphenyl)carbamoyl]amino}-1,4,5-trihydroxycyclohexyl]carbonyl}-O-methyl-L-tyrosinamide | C26H32N4O8

Nα-{[(1S,3S,4R,5R)-3-{[(4-Acetylphenyl)carbamoyl]amino}-1,4,5-trihydroxycyclohexyl]carbonyl}-O-methyl-L-tyrosinamide

  • Molecular FormulaC26H32N4O8
  • Average mass528.554 Da
  • Monoisotopic mass528.221985 Da
  • ChemSpider ID10054417

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Benzenepropanamide, α-[[[(1S,3S,4R,5R)-3-[[[(4-acetylphenyl)amino]carbonyl]amino]-1,4,5-trihydroxycyclohexyl]carbonyl]amino]-4-methoxy-, (αS)- [ACD/Index Name]
Nα-{[(1S,3S,4R,5R)-3-{[(4-Acetylphenyl)carbamoyl]amino}-1,4,5-trihydroxycyclohexyl]carbonyl}-O-methyl-L-tyrosinamid [German] [ACD/IUPAC Name]
Nα-{[(1S,3S,4R,5R)-3-{[(4-Acetylphenyl)carbamoyl]amino}-1,4,5-trihydroxycyclohexyl]carbonyl}-O-methyl-L-tyrosinamide [ACD/IUPAC Name]
Nα-{[(1S,3S,4R,5R)-3-{[(4-Acétylphényl)carbamoyl]amino}-1,4,5-trihydroxycyclohexyl]carbonyl}-O-méthyl-L-tyrosinamide [French] [ACD/IUPAC Name]

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

ZINC04151680 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 857.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.6±3.0 kJ/mol
Flash Point: 472.5±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.18
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.18
Polar Surface Area: 200 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 372.5±5.0 cm3

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