ChemSpider 2D Image | N-[4-(3-amino-1-hydroxy-5,6,6a,7,9,9a-hexahydro-8H-pyrrolo[3',4':4,5]pyrido[2,3-d]pyrimidin-8-yl)benzoyl]glutamic acid | C21H24N6O6

N-[4-(3-amino-1-hydroxy-5,6,6a,7,9,9a-hexahydro-8H-pyrrolo[3',4':4,5]pyrido[2,3-d]pyrimidin-8-yl)benzoyl]glutamic acid

  • Molecular FormulaC21H24N6O6
  • Average mass456.452 Da
  • Monoisotopic mass456.175720 Da
  • ChemSpider ID23203668

More details:

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

Acide N-[4-(3-amino-1-oxo-1,2,5,6,6a,7,9,9a-octahydro-8H-pyrrolo[3',4':4,5]pyrido[2,3-d]pyrimidin-8-yl)benzoyl]glutamique [French] [ACD/IUPAC Name]
glutamic acid, N-[4-(3-amino-5,6,6a,7,9,9a-hexahydro-1-hydroxy-8H-pyrrolo[3',4':4,5]pyrido[2,3-d]pyrimidin-8-yl)benzoyl]- [ACD/Index Name]
N-[4-(3-amino-1-hydroxy-5,6,6a,7,9,9a-hexahydro-8H-pyrrolo[3',4':4,5]pyrido[2,3-d]pyrimidin-8-yl)benzoyl]glutamic acid [ACD/IUPAC Name]
N-[4-(3-Amino-1-oxo-1,2,5,6,6a,7,9,9a-octahydro-8H-pyrrolo[3',4':4,5]pyrido[2,3-d]pyrimidin-8-yl)benzoyl]glutaminsäure [German] [ACD/IUPAC Name]
2-[4-(7-Amino-9-oxo-1,3,3a,4,5,8,9,9b-octahydro-2,5,6,8-tetraaza-cyclopenta[a]naphthalen-2-yl)-benzoylamino]-pentanedioic acid

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: 1.675
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -4.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 81.5±3.0 dyne/cm
Molar Volume: 304.9±3.0 cm3

Click to predict properties on the Chemicalize site


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