ChemSpider 2D Image | N-[(2S,3R)-3-Amino-2-hydroxy-5-methylhexanoyl]-L-valylvalylaspartic acid | C21H38N4O8

N-[(2S,3R)-3-Amino-2-hydroxy-5-methylhexanoyl]-L-valylvalylaspartic acid

  • Molecular FormulaC21H38N4O8
  • Average mass474.548 Da
  • Monoisotopic mass474.268951 Da
  • ChemSpider ID58804438
  • defined stereocentres - 3 of 5 defined stereocentres


More details:






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

Acide N-[(2S,3R)-3-amino-2-hydroxy-5-méthylhexanoyl]-L-valylvalylaspartique [French] [ACD/IUPAC Name]
Aspartic acid, N-[(2S,3R)-3-amino-2-hydroxy-5-methyl-1-oxohexyl]-L-valylvalyl- [ACD/Index Name]
N-[(2S,3R)-3-Amino-2-hydroxy-5-methylhexanoyl]-L-valylvalylasparaginsäure [German] [ACD/IUPAC Name]
N-[(2S,3R)-3-Amino-2-hydroxy-5-methylhexanoyl]-L-valylvalylaspartic acid [ACD/IUPAC Name]
[67655-94-1]
Amastatin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 795.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±6.0 kJ/mol
Flash Point: 434.7±32.9 °C
Index of Refraction: 1.523
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.40
ACD/LogD (pH 5.5): -2.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 386.4±3.0 cm3

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