ChemSpider 2D Image | (4S)-Hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarbonyl-L-histidyl-L-proline | C17H22N6O6

(4S)-Hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarbonyl-L-histidyl-L-proline

  • Molecular FormulaC17H22N6O6
  • Average mass406.393 Da
  • Monoisotopic mass406.160095 Da
  • ChemSpider ID75533846

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S)-Hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarbonyl-L-histidyl-L-proline
103300-77-2 [RN]
L-Proline, N-[[(4S)-hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]carbonyl]-L-histidyl- [ACD/Index Name]
N-{[(4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}-L-histidyl-L-prolin [German] [ACD/IUPAC Name]
N-{[(4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}-L-histidyl-L-proline [ACD/IUPAC Name]
N-{[(4S)-1-Méthyl-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}-L-histidyl-L-proline [French] [ACD/IUPAC Name]
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(4S)-1-methyl-2,6-dioxo-1,3-diazinane-4-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
L-Proline, (4S)-hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarbonyl-L-histidyl-
TA 0910 acid-type

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: 1.613
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -3.52
ACD/LogD (pH 5.5): -4.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 75.8±3.0 dyne/cm
Molar Volume: 274.0±3.0 cm3

Click to predict properties on the Chemicalize site


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