ChemSpider 2D Image | 3-Amino-8-(4-{[(1S)-1-carboxy-3-carboxylatopropyl]carbamoyl}phenyl)-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8-ium | C20H21N7O6

3-Amino-8-(4-{[(1S)-1-carboxy-3-carboxylatopropyl]carbamoyl}phenyl)-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8-ium

  • Molecular FormulaC20H21N7O6
  • Average mass455.424 Da
  • Monoisotopic mass455.155334 Da
  • ChemSpider ID29319913

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-Amino-8-(4-{[(1S)-1-carboxy-3-carboxylatopropyl]carbamoyl}phenyl)-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8-ium [German] [ACD/IUPAC Name]
3-Amino-8-(4-{[(1S)-1-carboxy-3-carboxylatopropyl]carbamoyl}phenyl)-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8-ium [ACD/IUPAC Name]
3-Amino-8-(4-{[(1S)-1-carboxy-3-carboxylatopropyl]carbamoyl}phényl)-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]ptéridin-8-ium [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-(3-amino-1,2,5,6,6a,7-hexahydro-1-oxoimidazo[1,5-f]pteridinium-8-yl)benzoyl]-, inner salt [ACD/Index Name]
5,10-methenyltetrahydrofolate

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 192 Å2
Polarizability:
Surface Tension:
Molar Volume:

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