ChemSpider 2D Image | L-Valyl-L-valyl-N-[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]-L-aspartic acid | C21H38N4O8

L-Valyl-L-valyl-N-[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]-L-aspartic acid

  • Molecular FormulaC21H38N4O8
  • Average mass474.548 Da
  • Monoisotopic mass474.268951 Da
  • ChemSpider ID26567417

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Acide L-valyl-L-valyl-N-[(2S,3R)-3-amino-2-hydroxy-5-méthylhexanoyl]-L-aspartique [French] [ACD/IUPAC Name]
L-Aspartic acid, L-valyl-L-valyl-N-[(2S,3R)-3-amino-2-hydroxy-5-methyl-1-oxohexyl]- [ACD/Index Name]
L-Valyl-L-valyl-N-[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]-L-asparaginsäure [German] [ACD/IUPAC Name]
L-Valyl-L-valyl-N-[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]-L-aspartic acid [ACD/IUPAC Name]
67655-94-1 [RN]
Amastatin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.2±6.0 kJ/mol
Flash Point: 377.4±32.9 °C
Index of Refraction: 1.535
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -2.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 379.7±3.0 cm3

Click to predict properties on the Chemicalize site


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