ChemSpider 2D Image | (4S)-3-Hydroxy-6-methyl-4-{[N-(3-methylbutanoyl)-D-valyl]amino}heptanamide | C18H35N3O4

(4S)-3-Hydroxy-6-methyl-4-{[N-(3-methylbutanoyl)-D-valyl]amino}heptanamide

  • Molecular FormulaC18H35N3O4
  • Average mass357.488 Da
  • Monoisotopic mass357.262756 Da
  • ChemSpider ID23196367

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4S)-3-Hydroxy-6-methyl-4-{[N-(3-methylbutanoyl)-D-valyl]amino}heptanamid [German] [ACD/IUPAC Name]
(4S)-3-Hydroxy-6-methyl-4-{[N-(3-methylbutanoyl)-D-valyl]amino}heptanamide [ACD/IUPAC Name]
(4S)-3-Hydroxy-6-méthyl-4-{[N-(3-méthylbutanoyl)-D-valyl]amino}heptanamide [French] [ACD/IUPAC Name]
Heptanamide, 3-hydroxy-6-methyl-4-[[(2R)-3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-, (4S)- [ACD/Index Name]
3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-heptanoic acid amide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 647.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±6.0 kJ/mol
Flash Point: 345.4±31.5 °C
Index of Refraction: 1.489
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 3.02
ACD/KOC (pH 5.5): 76.76
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 3.02
ACD/KOC (pH 7.4): 76.76
Polar Surface Area: 122 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 338.1±3.0 cm3

Click to predict properties on the Chemicalize site


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