ChemSpider 2D Image | 2-({4-[2-(2-Amino-4-oxo-4,7a-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)-4-(5H-tetrazol-5-yl)butanoic acid | C20H21N9O4

2-({4-[2-(2-Amino-4-oxo-4,7a-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)-4-(5H-tetrazol-5-yl)butanoic acid

  • Molecular FormulaC20H21N9O4
  • Average mass451.439 Da
  • Monoisotopic mass451.171661 Da
  • ChemSpider ID21395554

More details:

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

2-({4-[2-(2-Amino-4-oxo-4,7a-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)-4-(5H-tetrazol-5-yl)butanoic acid [ACD/IUPAC Name]
2-({4-[2-(2-Amino-4-oxo-4,7a-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)-4-(5H-tetrazol-5-yl)butansäure [German] [ACD/IUPAC Name]
5H-Tetrazole-5-butanoic acid, α-[[4-[2-(2-amino-4,7a-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]- [ACD/Index Name]
Acide 2-({4-[2-(2-amino-4-oxo-4,7a-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)éthyl]benzoyl}amino)-4-(5H-tétrazol-5-yl)butanoïque [French] [ACD/IUPAC Name]

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: 1.815
Molar Refractivity: 114.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -2.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 82.7±7.0 dyne/cm
Molar Volume: 263.7±7.0 cm3

Click to predict properties on the Chemicalize site


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