ChemSpider 2D Image | N-(2-Chloro-1H-purin-6-yl)-D-alanine | C8H8ClN5O2

N-(2-Chloro-1H-purin-6-yl)-D-alanine

  • Molecular FormulaC8H8ClN5O2
  • Average mass241.634 Da
  • Monoisotopic mass241.036652 Da
  • ChemSpider ID29766768

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Alanine, N-(2-chloro-9H-purin-6-yl)- [ACD/Index Name]
N-(2-Chlor-1H-purin-6-yl)-D-alanin [German] [ACD/IUPAC Name]
N-(2-Chloro-1H-purin-6-yl)-D-alanine [ACD/IUPAC Name]
N-(2-Chloro-1H-purin-6-yl)-D-alanine [French] [ACD/IUPAC Name]
(2R)-2-[(2-chloro-7H-purin-6-yl)amino]propanoic acid
(2R)-2-[(2-CHLORO-9H-PURIN-6-YL)AMINO]PROPANOIC ACID
(R)-2-((2-chloro-9H-purin-6-yl)amino)propanoic acid
1574304-27-0 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 605.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 320.2±31.5 °C
Index of Refraction: 1.762
Molar Refractivity: 58.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 100.8±3.0 dyne/cm
Molar Volume: 141.0±3.0 cm3

Click to predict properties on the Chemicalize site


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