ChemSpider 2D Image | N-[(2-Phenylethyl)sulfonyl]-D-seryl-N-{(2S)-5-[(diaminomethylene)amino]-1-hydroxy-2-pentanyl}-L-alaninamide | C20H34N6O6S

N-[(2-Phenylethyl)sulfonyl]-D-seryl-N-{(2S)-5-[(diaminomethylene)amino]-1-hydroxy-2-pentanyl}-L-alaninamide

  • Molecular FormulaC20H34N6O6S
  • Average mass486.586 Da
  • Monoisotopic mass486.226044 Da
  • ChemSpider ID25058212

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Alaninamide, N-[(2-phenylethyl)sulfonyl]-D-seryl-N-[(1S)-4-[(diaminomethylene)amino]-1-(hydroxymethyl)butyl]- [ACD/Index Name]
N-[(2-Phenylethyl)sulfonyl]-D-Seryl-N-[(1s)-4-[(Diaminomethylene)amino]-1-(Hydroxymethyl)butyl]-L-Alaninamide
N-[(2-Phenylethyl)sulfonyl]-D-seryl-N-{(2S)-5-[(diaminomethylen)amino]-1-hydroxy-2-pentanyl}-L-alaninamid [German] [ACD/IUPAC Name]
N-[(2-Phenylethyl)sulfonyl]-D-seryl-N-{(2S)-5-[(diaminomethylene)amino]-1-hydroxy-2-pentanyl}-L-alaninamide [ACD/IUPAC Name]
N-[(2-Phényléthyl)sulfonyl]-D-séryl-N-{(2S)-5-[(diaminométhylène)amino]-1-hydroxy-2-pentanyl}-L-alaninamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 121.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -3.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 346.7±7.0 cm3

Click to predict properties on the Chemicalize site


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