ChemSpider 2D Image | Benzyl {(2R)-1-[(2R)-2-{[(3R)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]carbamoyl}-1-piperidinyl]-3-hydroxy-1-oxo-2-propanyl}carbamate | C23H34N6O6

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

  • Molecular FormulaC23H34N6O6
  • Average mass490.553 Da
  • Monoisotopic mass490.253998 Da
  • ChemSpider ID23242156

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

{(2R)-1-[(2R)-2-{[(3R)-1-Carbamimidoyl-2-hydroxy-3-pipéridinyl]carbamoyl}-1-pipéridinyl]-3-hydroxy-1-oxo-2-propanyl}carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {(2R)-1-[(2R)-2-{[(3R)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]carbamoyl}-1-piperidinyl]-3-hydroxy-1-oxo-2-propanyl}carbamate [ACD/IUPAC Name]
benzyl {(2R)-1-[(2R)-2-{[(3R)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]carbamoyl}piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl}carbamate
Benzyl-{(2R)-1-[(2R)-2-{[(3R)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]carbamoyl}-1-piperidinyl]-3-hydroxy-1-oxo-2-propanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-2-[(2R)-2-[[[(3R)-1-(aminoiminomethyl)-2-hydroxy-3-piperidinyl]amino]carbonyl]-1-piperidinyl]-1-(hydroxymethyl)-2-oxoethyl]-, phenylmethyl ester [ACD/Index Name]
{2-[2-(1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-piperidin-1-yl]-1-hydroxymethyl-2-oxo-ethyl}-carbamic acid benzyl ester
CHEMBL433809
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL433809/

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: 1.667
Molar Refractivity: 124.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -2.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 64.6±7.0 dyne/cm
Molar Volume: 334.3±7.0 cm3

Click to predict properties on the Chemicalize site


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