ChemSpider 2D Image | Benzyl [(2R)-1-(2-{[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]carbamoyl}-1-azetidinyl)-3-hydroxy-1-oxo-2-propanyl]carbamate | C21H30N6O6

Benzyl [(2R)-1-(2-{[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]carbamoyl}-1-azetidinyl)-3-hydroxy-1-oxo-2-propanyl]carbamate

  • Molecular FormulaC21H30N6O6
  • Average mass462.500 Da
  • Monoisotopic mass462.222687 Da
  • ChemSpider ID23242351

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

[(2R)-1-(2-{[(3S)-1-Carbamimidoyl-2-hydroxy-3-pipéridinyl]carbamoyl}-1-azétidinyl)-3-hydroxy-1-oxo-2-propanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(2R)-1-(2-{[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]carbamoyl}-1-azetidinyl)-3-hydroxy-1-oxo-2-propanyl]carbamate [ACD/IUPAC Name]
benzyl [(2R)-1-(2-{[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]carbamoyl}azetidin-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate
Benzyl-[(2R)-1-(2-{[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]carbamoyl}-1-azetidinyl)-3-hydroxy-1-oxo-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-2-[2-[[[(3S)-1-(aminoiminomethyl)-2-hydroxy-3-piperidinyl]amino]carbonyl]-1-azetidinyl]-1-(hydroxymethyl)-2-oxoethyl]-, phenylmethyl ester [ACD/Index Name]
{(R)-2-[2-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-azetidin-1-yl]-1-hydroxymethyl-2-oxo-ethyl}-carbamic acid benzyl ester
CHEMBL366666

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 115.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 68.8±7.0 dyne/cm
Molar Volume: 302.2±7.0 cm3

Click to predict properties on the Chemicalize site


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