ChemSpider 2D Image | (2R,3aR,7aR)-2-[(2S)-2-Ammonio-2-carboxylatoethyl]hexahydro-2H-furo[3,2-b]pyran-2-carboxylate | C11H16NO6

(2R,3aR,7aR)-2-[(2S)-2-Ammonio-2-carboxylatoethyl]hexahydro-2H-furo[3,2-b]pyran-2-carboxylate

  • Molecular FormulaC11H16NO6
  • Average mass258.248 Da
  • Monoisotopic mass258.098297 Da
  • ChemSpider ID58145097

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3aR,7aR)-2-[(2S)-2-Ammonio-2-carboxylatoethyl]hexahydro-2H-furo[3,2-b]pyran-2-carboxylat [German] [ACD/IUPAC Name]
(2R,3aR,7aR)-2-[(2S)-2-Ammonio-2-carboxylatoethyl]hexahydro-2H-furo[3,2-b]pyran-2-carboxylate [ACD/IUPAC Name]
(2R,3aR,7aR)-2-[(2S)-2-Ammonio-2-carboxylatoéthyl]hexahydro-2H-furo[3,2-b]pyrane-2-carboxylate [French] [ACD/IUPAC Name]
D-talo-Deconic acid, 2-amino-4,7:6,10-dianhydro-4-C-carboxy-2,3,5,8,9-pentadeoxy-, inner salt, ion(1-) [ACD/Index Name]
(2R,3aR,7aR)-2-[(2S)-2-azaniumyl-2-carboxylatoethyl]-hexahydro-2H-furo[3,2-b]pyran-2-carboxylate
8,9-dideoxyneodysiherbaine
MSVIII-19

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

Density:
Boiling Point: 491.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.0±6.0 kJ/mol
Flash Point: 250.9±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -3.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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