ChemSpider 2D Image | bound formhmb-val-ser-phe(4-nh2ch2)-methyl vinyl sulfone | C28H40N4O7S

bound formhmb-val-ser-phe(4-nh2ch2)-methyl vinyl sulfone

  • Molecular FormulaC28H40N4O7S
  • Average mass576.705 Da
  • Monoisotopic mass576.261780 Da
  • ChemSpider ID35033631

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

bound formhmb-val-ser-phe(4-nh2ch2)-methyl vinyl sulfone
L-Serinamide, N-(3-hydroxy-2-methylbenzoyl)-L-valyl-N-[(1S)-1-[[4-(aminomethyl)phenyl]methyl]-3-(methylsulfonyl)propyl]- [ACD/Index Name]
N-(3-Hydroxy-2-methylbenzoyl)-L-valyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)-2-butanyl]-L-serinamid [German] [ACD/IUPAC Name]
N-(3-Hydroxy-2-methylbenzoyl)-L-valyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)-2-butanyl]-L-serinamide [ACD/IUPAC Name]
N-(3-Hydroxy-2-méthylbenzoyl)-L-valyl-N-[(2S)-1-[4-(aminométhyl)phényl]-4-(méthylsulfonyl)-2-butanyl]-L-sérinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 931.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.0±3.0 kJ/mol
Flash Point: 517.4±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 152.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -2.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 455.2±3.0 cm3

Click to predict properties on the Chemicalize site


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