ChemSpider 2D Image | (3R)-3-Amino-3-(5-iodo-1,3-thiazol-2-yl)propanoic acid | C6H7IN2O2S

(3R)-3-Amino-3-(5-iodo-1,3-thiazol-2-yl)propanoic acid

  • Molecular FormulaC6H7IN2O2S
  • Average mass298.102 Da
  • Monoisotopic mass297.927277 Da
  • ChemSpider ID65334748

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Amino-3-(5-iod-1,3-thiazol-2-yl)propansäure [German] [ACD/IUPAC Name]
(3R)-3-Amino-3-(5-iodo-1,3-thiazol-2-yl)propanoic acid [ACD/IUPAC Name]
2-Thiazolepropanoic acid, β-amino-5-iodo-, (βR)- [ACD/Index Name]
Acide (3R)-3-amino-3-(5-iodo-1,3-thiazol-2-yl)propanoïque [French] [ACD/IUPAC Name]
1841222-21-6 [RN]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 404.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 198.3±28.7 °C
Index of Refraction: 1.697
Molar Refractivity: 54.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 79.7±3.0 dyne/cm
Molar Volume: 142.6±3.0 cm3

Click to predict properties on the Chemicalize site


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