ChemSpider 2D Image | (2R,5S)-2,5-Diammoniohexanoatato | C6H15N2O2

(2R,5S)-2,5-Diammoniohexanoatato

  • Molecular FormulaC6H15N2O2
  • Average mass147.195 Da
  • Monoisotopic mass147.112808 Da
  • ChemSpider ID76962994

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,5S)-2,5-Diammoniohexanoat [German] [ACD/IUPAC Name]
(2R,5S)-2,5-Diammoniohexanoatato [ACD/IUPAC Name]
(2R,5S)-2,5-Diammoniohexanoate [French] [ACD/IUPAC Name]
D-Norleucine, 5-amino-, inner salt, conjugate acid, (5S)- [ACD/Index Name]
(2R,5S)-2,5-bis(azaniumyl)hexanoate
(2R,5S)-2,5-diaminohexanoate
(2R,5S)-2,5-diaminohexanoic acid cation
(2R,5S)-2,5-diammoniohexanoate
  • Miscellaneous

    • Chemical Class:

      An alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino groups of (2R,5S)-2,5-diaminohexanoic acid; ma; jor species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137487
      An alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino groups of (2R,5S)-2,5-diaminohexanoic acid; major species at pH 7.3. ChEBI CHEBI:137487

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

Density:
Boiling Point: 303.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 59.8±6.0 kJ/mol
Flash Point: 137.5±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: -0.62
ACD/LogD (pH 5.5): -4.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.55
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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