ChemSpider 2D Image | N-{[(4R)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}-D-histidyl-D-prolinamide | C17H23N7O5

N-{[(4R)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}-D-histidyl-D-prolinamide

  • Molecular FormulaC17H23N7O5
  • Average mass405.408 Da
  • Monoisotopic mass405.176056 Da
  • ChemSpider ID23159124

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Prolinamide, N-[[(4R)-hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]carbonyl]-D-histidyl- [ACD/Index Name]
N-{[(4R)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}-D-histidyl-D-prolinamid [German] [ACD/IUPAC Name]
N-{[(4R)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}-D-histidyl-D-prolinamide [ACD/IUPAC Name]
N-{[(4R)-1-Méthyl-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}-D-histidyl-D-prolinamide [French] [ACD/IUPAC Name]
N-{[(4R)-1-methyl-2,6-dioxohexahydropyrimidin-4-yl]carbonyl}-D-histidyl-D-prolinamide
(R)-1-Methyl-2,6-dioxo-hexahydro-pyrimidine-4-carboxylic acid [2-(2-carbamoyl-pyrrolidin-1-yl)-1-(3H-imidazol-4-ylmethyl)-2-oxo-ethyl]-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL292328/

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: 1.612
Molar Refractivity: 97.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.09
ACD/LogD (pH 5.5): -3.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
Polar Surface Area: 171 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 73.8±3.0 dyne/cm
Molar Volume: 280.1±3.0 cm3

Click to predict properties on the Chemicalize site


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