ChemSpider 2D Image | (2S)-2-Amino-4-(4-amino-2-oxo-1(2H)-pyrimidinyl)butanoic acid | C8H12N4O3

(2S)-2-Amino-4-(4-amino-2-oxo-1(2H)-pyrimidinyl)butanoic acid

  • Molecular FormulaC8H12N4O3
  • Average mass212.206 Da
  • Monoisotopic mass212.090942 Da
  • ChemSpider ID25058392

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-4-(4-amino-2-oxo-1(2H)-pyrimidinyl)butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-(4-amino-2-oxo-1(2H)-pyrimidinyl)butansäure [German] [ACD/IUPAC Name]
(2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid
1(2H)-Pyrimidinebutanoic acid, α,4-diamino-2-oxo-, (αS)- [ACD/Index Name]
Acide (2S)-2-amino-4-(4-amino-2-oxo-1(2H)-pyrimidinyl)butanoïque [French] [ACD/IUPAC Name]
?-(1-cytosinyl)homoalanine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 464.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.6±6.0 kJ/mol
Flash Point: 234.8±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 50.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.89
ACD/LogD (pH 5.5): -4.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 74.9±7.0 dyne/cm
Molar Volume: 133.8±7.0 cm3

Click to predict properties on the Chemicalize site


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