ChemSpider 2D Image | (3S)-3-Amino-4-{4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl}-4-oxobutanamide | C22H27N9O4

(3S)-3-Amino-4-{4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl}-4-oxobutanamide

  • Molecular FormulaC22H27N9O4
  • Average mass481.508 Da
  • Monoisotopic mass481.218597 Da
  • ChemSpider ID77734492

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-4-{4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl}-4-oxobutanamid [German] [ACD/IUPAC Name]
(3S)-3-Amino-4-{4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl}-4-oxobutanamide [ACD/IUPAC Name]
(3S)-3-Amino-4-{4-[2-amino-6-(3,4-diméthoxyphényl)-4-ptéridinyl]-1-pipérazinyl}-4-oxobutanamide [French] [ACD/IUPAC Name]
1-Piperazinebutanamide, β-amino-4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-γ-oxo-, (βS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 835.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 459.4±37.1 °C
Index of Refraction: 1.665
Molar Refractivity: 127.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.44
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.43
Polar Surface Area: 189 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 76.7±3.0 dyne/cm
Molar Volume: 344.5±3.0 cm3

Click to predict properties on the Chemicalize site


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