ChemSpider 2D Image | N-{4-[(2R)-1-(2,4-Diamino-1,5,6,7-tetrahydro-6-pteridinyl)-2-butanyl]benzoyl}-L-glutamic acid | C22H29N7O5

N-{4-[(2R)-1-(2,4-Diamino-1,5,6,7-tetrahydro-6-pteridinyl)-2-butanyl]benzoyl}-L-glutamic acid

  • Molecular FormulaC22H29N7O5
  • Average mass471.510 Da
  • Monoisotopic mass471.223022 Da
  • ChemSpider ID28519843

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Acide N-{4-[(2R)-1-(2,4-diamino-1,5,6,7-tétrahydro-6-ptéridinyl)-2-butanyl]benzoyl}-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[(1R)-1-[(2,4-diamino-5,6,7,8-tetrahydro-6-pteridinyl)methyl]propyl]benzoyl]- [ACD/Index Name]
N-{4-[(2R)-1-(2,4-Diamino-1,5,6,7-tetrahydro-6-pteridinyl)-2-butanyl]benzoyl}-L-glutamic acid [ACD/IUPAC Name]
N-{4-[(2R)-1-(2,4-Diamino-1,5,6,7-tetrahydro-6-pteridinyl)-2-butanyl]benzoyl}-L-glutaminsäure [German] [ACD/IUPAC Name]

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: 1.629
Molar Refractivity: 123.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 347.4±3.0 cm3

Click to predict properties on the Chemicalize site


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