ChemSpider 2D Image | N-{4-[({2,4-Bis[(~2~H_2_)amino]-6-pteridinyl}methyl)(methyl)amino]benzoyl}-L-(N,O~1~,O~5~-~2~H_3_)glutamic acid | C20H15D7N8O5

N-{4-[({2,4-Bis[(2H2)amino]-6-pteridinyl}methyl)(methyl)amino]benzoyl}-L-(N,O1,O5-2H3)glutamic acid

  • Molecular FormulaC20H15D7N8O5
  • Average mass461.482 Da
  • Monoisotopic mass461.215240 Da
  • ChemSpider ID95600832

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Acide N-{4-[({2,4-bis[(2H2)amino]-6-ptéridinyl}méthyl)(méthyl)amino]benzoyl}-L-(N,O1,O5-2H3)glutamique [French] [ACD/IUPAC Name]
L-Glutamic-N-d acid-d2, N-[4-[[[2,4-di(amino-d2)-6-pteridinyl]methyl]methylamino]benzoyl]- [ACD/Index Name]
N-{4-[({2,4-Bis[(2H2)amino]-6-pteridinyl}methyl)(methyl)amino]benzoyl}-L-(N,O1,O5-2H3)glutamic acid [ACD/IUPAC Name]
N-{4-[({2,4-Bis[(2H2)amino]-6-pteridinyl}methyl)(methyl)amino]benzoyl}-L-(N,O1,O5-2H3)glutaminsäure [German] [ACD/IUPAC Name]

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: 1.738
Molar Refractivity: 119.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -3.91
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: 211 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 96.5±3.0 dyne/cm
Molar Volume: 295.7±3.0 cm3

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