ChemSpider 2D Image | N~2~-(4-{[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)methyl]amino}benzoyl)ornithine | C20H27N7O4

N2-(4-{[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)methyl]amino}benzoyl)ornithine

  • Molecular FormulaC20H27N7O4
  • Average mass429.473 Da
  • Monoisotopic mass429.212463 Da
  • ChemSpider ID23136518

More details:

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

N2-(4-{[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)methyl]amino}benzoyl)ornithin [German] [ACD/IUPAC Name]
N2-(4-{[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)methyl]amino}benzoyl)ornithine [ACD/IUPAC Name]
N2-(4-{[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)méthyl]amino}benzoyl)ornithine [French] [ACD/IUPAC Name]
Ornithine, N2-[4-[[(2-amino-5,6,7,8-tetrahydro-4-hydroxypyrido[2,3-d]pyrimidin-6-yl)methyl]amino]benzoyl]- [ACD/Index Name]
5-Amino-2-{4-[(2-amino-4-oxo-2,3,4,4a,5,6,7,8-octahydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanoic acid
5-Amino-2-{4-[(2-amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL289923/

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: 1.667
Molar Refractivity: 115.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 76.3±3.0 dyne/cm
Molar Volume: 309.4±3.0 cm3

Click to predict properties on the Chemicalize site


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