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

(4R)-N-(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-4-fluoro-D-glutamic acid

  • Molecular FormulaC20H21FN8O5
  • Average mass472.430 Da
  • Monoisotopic mass472.161896 Da
  • ChemSpider ID23229539

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-N-(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-4-fluor-D-glutaminsäure [German] [ACD/IUPAC Name]
(4R)-N-(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-4-fluoro-D-glutamic acid [ACD/IUPAC Name]
(4R)-N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-4-fluoro-D-glutamic acid
Acide (4R)-N-(4-{[(2,4-diamino-6-ptéridinyl)méthyl](méthyl)amino}benzoyl)-4-fluoro-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-4-fluoro-, (4R)- [ACD/Index Name]
(2R,4R)-2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-4-fluoro-pentanedioic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL349572/

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: 1.720
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.37
ACD/LogD (pH 5.5): -4.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 91.9±3.0 dyne/cm
Molar Volume: 301.5±3.0 cm3

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