ChemSpider 2D Image | (2S)-2,7-Diamino-7-imino(5,5,6-~2~H_3_)heptanoic acid | C7H12D3N3O2

(2S)-2,7-Diamino-7-imino(5,5,6-2H3)heptanoic acid

  • Molecular FormulaC7H12D3N3O2
  • Average mass176.231 Da
  • Monoisotopic mass176.135254 Da
  • ChemSpider ID110418023

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-2,7-Diamino-7-imino(5,5,6-2H3)heptanoic acid [ACD/IUPAC Name]
(2S)-2,7-Diamino-7-imino(5,5,6-2H3)heptansäure [German] [ACD/IUPAC Name]
Acide (2S)-2,7-diamino-7-imino(5,5,6-2H3)heptanoïque [French] [ACD/IUPAC Name]
Heptanoic-5,5,6-d3 acid, 2,7-diamino-7-imino-, (2S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 350.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.3±6.0 kJ/mol
Flash Point: 165.5±30.7 °C
Index of Refraction: 1.563
Molar Refractivity: 42.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.67
ACD/LogD (pH 5.5): -4.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 130.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement