ChemSpider 2D Image | N-(3-Hydroxy-2-methylbenzoyl)-L-valyl-N-[(2S,3E)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)-3-buten-2-yl]-L-serinamide | C28H38N4O7S

N-(3-Hydroxy-2-methylbenzoyl)-L-valyl-N-[(2S,3E)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)-3-buten-2-yl]-L-serinamide

  • Molecular FormulaC28H38N4O7S
  • Average mass574.689 Da
  • Monoisotopic mass574.246094 Da
  • ChemSpider ID29413457

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Serinamide, N-(3-hydroxy-2-methylbenzoyl)-L-valyl-N-[(1S,2E)-1-[[4-(aminomethyl)phenyl]methyl]-3-(methylsulfonyl)-2-propen-1-yl]- [ACD/Index Name]
N-(3-Hydroxy-2-methylbenzoyl)-L-valyl-N-[(2S,3E)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)-3-buten-2-yl]-L-serinamid [German] [ACD/IUPAC Name]
N-(3-Hydroxy-2-methylbenzoyl)-L-valyl-N-[(2S,3E)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)-3-buten-2-yl]-L-serinamide [ACD/IUPAC Name]
N-(3-Hydroxy-2-méthylbenzoyl)-L-valyl-N-[(2S,3E)-1-[4-(aminométhyl)phényl]-4-(méthylsulfonyl)-3-butén-2-yl]-L-sérinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 940.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.3±3.0 kJ/mol
Flash Point: 522.5±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 152.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.51
Polar Surface Area: 196 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 448.8±3.0 cm3

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