ChemSpider 2D Image | Ethyl (3S,4S)-4,8-diamino-3-hydroxyoctanoate | C10H22N2O3

Ethyl (3S,4S)-4,8-diamino-3-hydroxyoctanoate

  • Molecular FormulaC10H22N2O3
  • Average mass218.293 Da
  • Monoisotopic mass218.163040 Da
  • ChemSpider ID25058964

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-4,8-Diamino-3-hydroxyoctanoate d'éthyle [French] [ACD/IUPAC Name]
4,8-diamino-3-hydroxy-octanoic acid ethyl ester
Ethyl (3S,4S)-4,8-diamino-3-hydroxyoctanoate [ACD/IUPAC Name]
Ethyl-(3S,4S)-4,8-diamino-3-hydroxyoctanoat [German] [ACD/IUPAC Name]
Octanoic acid, 4,8-diamino-3-hydroxy-, ethyl ester, (3S,4S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 363.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.5±6.0 kJ/mol
Flash Point: 173.4±27.9 °C
Index of Refraction: 1.491
Molar Refractivity: 58.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -4.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 202.7±3.0 cm3

Click to predict properties on the Chemicalize site


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