ChemSpider 2D Image | 2-Amino-4-{(6Z)-6-[(3-methyl-2-buten-1-yl)imino]-6,7-dihydro-3H-purin-3-yl}butanoic acid | C14H20N6O2

2-Amino-4-{(6Z)-6-[(3-methyl-2-buten-1-yl)imino]-6,7-dihydro-3H-purin-3-yl}butanoic acid

  • Molecular FormulaC14H20N6O2
  • Average mass304.348 Da
  • Monoisotopic mass304.164764 Da
  • ChemSpider ID78435981

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Amino-4-{(6Z)-6-[(3-methyl-2-buten-1-yl)imino]-6,7-dihydro-3H-purin-3-yl}butanoic acid [ACD/IUPAC Name]
2-Amino-4-{(6Z)-6-[(3-methyl-2-buten-1-yl)imino]-6,7-dihydro-3H-purin-3-yl}butansäure [German] [ACD/IUPAC Name]
3H-Purine-3-butanoic acid, α-amino-6,7-dihydro-6-[(3-methyl-2-buten-1-yl)imino]-, (6Z)- [ACD/Index Name]
Acide 2-amino-4-{(6Z)-6-[(3-méthyl-2-butén-1-yl)imino]-6,7-dihydro-3H-purin-3-yl}butanoïque [French] [ACD/IUPAC Name]
Discadenine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 603.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 318.8±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 81.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 220.2±7.0 cm3

Click to predict properties on the Chemicalize site


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