ChemSpider 2D Image | N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-methylbenzoyl)-4-fluoro-L-glutamic acid | C20H21FN8O5

N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-methylbenzoyl)-4-fluoro-L-glutamic acid

  • Molecular FormulaC20H21FN8O5
  • Average mass472.430 Da
  • Monoisotopic mass472.161896 Da
  • ChemSpider ID23195966

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Acide N-(4-{[(2,4-diamino-6-ptéridinyl)méthyl]amino}-3-méthylbenzoyl)-4-fluoro-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]-3-methylbenzoyl]-4-fluoro- [ACD/Index Name]
N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-methylbenzoyl)-4-fluor-L-glutaminsäure [German] [ACD/IUPAC Name]
N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-methylbenzoyl)-4-fluoro-L-glutamic acid [ACD/IUPAC Name]
N-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}-3-methylbenzoyl)-4-fluoro-L-glutamic acid
(S)-2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-3-methyl-benzoylamino}-4-fluoro-pentanedioic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL419568/

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.728
Molar Refractivity: 119.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -4.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 92.5±3.0 dyne/cm
Molar Volume: 299.3±3.0 cm3

Click to predict properties on the Chemicalize site


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