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

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

  • Molecular FormulaC17H23N7O5
  • Average mass405.408 Da
  • Monoisotopic mass405.176056 Da
  • ChemSpider ID29788108

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-[(hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl]-D-histidyl- [ACD/Index Name]
N-[(1-Methyl-2,6-dioxohexahydro-4-pyrimidinyl)carbonyl]-D-histidyl-L-prolinamid [German] [ACD/IUPAC Name]
N-[(1-Methyl-2,6-dioxohexahydro-4-pyrimidinyl)carbonyl]-D-histidyl-L-prolinamide [ACD/IUPAC Name]
N-[(1-Méthyl-2,6-dioxohexahydro-4-pyrimidinyl)carbonyl]-D-histidyl-L-prolinamide [French] [ACD/IUPAC Name]
(4S)-Hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarbonyl-L-histidyl-
(4S)-Hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarbonyl-L-histidyl-L-prolinamide
Taltirelin [INN] [Wiki]

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): -3.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.09
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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