ChemSpider 2D Image | (3S,5S)-3,5-Diammoniohexanoate | C6H15N2O2

(3S,5S)-3,5-Diammoniohexanoate

  • Molecular FormulaC6H15N2O2
  • Average mass147.195 Da
  • Monoisotopic mass147.112808 Da
  • ChemSpider ID26330786
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,5S)-3,5-Diammoniohexanoat [German] [ACD/IUPAC Name]
(3S,5S)-3,5-Diammoniohexanoate [ACD/IUPAC Name]
(3S,5S)-3,5-Diammoniohexanoate [French] [ACD/IUPAC Name]
Hexanoic acid, 3,5-diamino-, inner salt, conjugate acid, (3S,5S)- [ACD/Index Name]
(3S,5S)-3,5-diazaniumylhexanoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 308.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.4±6.0 kJ/mol
Flash Point: 140.5±25.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -4.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability:
Surface Tension:
Molar Volume:

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