ChemSpider 2D Image | (2S,6S)-2,6-Diaminoheptanedioate | C7H12N2O4

(2S,6S)-2,6-Diaminoheptanedioate

  • Molecular FormulaC7H12N2O4
  • Average mass188.182 Da
  • Monoisotopic mass188.080811 Da
  • ChemSpider ID21865446
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,6S)-2,6-Diaminoheptandioat [German] [ACD/IUPAC Name]
(2S,6S)-2,6-Diaminoheptanedioate [ACD/IUPAC Name]
(2S,6S)-2,6-Diaminoheptanedioate [French] [ACD/IUPAC Name]
Heptanedioic acid, 2,6-diamino-, ion(2-), (2S,6S)- [ACD/Index Name]
(S,S)-2,6-diaminopimelate(2-)
LL-2,6-diaminoheptanedioate
LL-2,6-diaminopimelate
LL-2,6-diaminopimelate(2-)

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

Density:
Boiling Point: 426.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±6.0 kJ/mol
Flash Point: 211.8±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.58
ACD/LogD (pH 5.5): -4.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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