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

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

  • Molecular FormulaC17H23N7O5
  • Average mass405.408 Da
  • Monoisotopic mass405.176056 Da
  • ChemSpider ID68024834

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2R)-1-{N-[(1-Methyl-2,6-dioxohexahydro-4-pyrimidinyl)carbonyl]histidyl}-2-pyrrolidincarboximidsäure [German] [ACD/IUPAC Name]
(2R)-1-{N-[(1-Methyl-2,6-dioxohexahydro-4-pyrimidinyl)carbonyl]histidyl}-2-pyrrolidinecarboximidic acid [ACD/IUPAC Name]
2-Pyrrolidinecarboximidic acid, 1-[2-[[(hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-, (2R)- [ACD/Index Name]
Acide (2R)-1-{N-[(1-méthyl-2,6-dioxohexahydro-4-pyrimidinyl)carbonyl]histidyl}-2-pyrrolidinecarboximidique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.752
Molar Refractivity: 99.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.15
ACD/LogD (pH 5.5): -5.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 77.4±7.0 dyne/cm
Molar Volume: 243.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement