ChemSpider 2D Image | N-{4-[(3E)-3-(2-Amino-4-oxo-1,5-dihydro-6(4H)-pteridinylidene)-4-methyl-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoyl}-L-glutamic acid | C23H21N7O7

N-{4-[(3E)-3-(2-Amino-4-oxo-1,5-dihydro-6(4H)-pteridinylidene)-4-methyl-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoyl}-L-glutamic acid

  • Molecular FormulaC23H21N7O7
  • Average mass507.456 Da
  • Monoisotopic mass507.150238 Da
  • ChemSpider ID4589558

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-{4-[(3E)-3-(2-amino-4-oxo-1,5-dihydro-6(4H)-ptéridinylidène)-4-méthyl-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoyl}-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[(3E)-3-(2-amino-1,5-dihydro-4-oxo-6(4H)-pteridinylidene)-2,3-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl]benzoyl]- [ACD/Index Name]
N-{4-[(3E)-3-(2-Amino-4-oxo-1,5-dihydro-6(4H)-pteridinyliden)-4-methyl-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoyl}-L-glutaminsäure [German] [ACD/IUPAC Name]
N-{4-[(3E)-3-(2-Amino-4-oxo-1,5-dihydro-6(4H)-pteridinylidene)-4-methyl-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoyl}-L-glutamic acid [ACD/IUPAC Name]
(2S)-2-[(4-{3-[(6E)-2-AMINO-4-OXO-1,5-DIHYDROPTERIDIN-6-YLIDENE]-4-METHYL-2-OXOPYRROL-1-YL}PHENYL)FORMAMIDO]PENTANEDIOIC ACID
88912-57-6 [RN]
L-Glutamic acid, N-(4-(3-(2-amino-1,5-dihydro-4-oxo-6(4H)-pteridinylidene)-2,3-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)benzoyl)-
Pyrrofolic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.777
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -4.34
ACD/LogD (pH 5.5): -6.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 216 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 80.0±7.0 dyne/cm
Molar Volume: 299.4±7.0 cm3

Click to predict properties on the Chemicalize site


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