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Search term: FTTIRUDKAGWQBS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-carboxyarabinitol | C6H12O7

2-carboxyarabinitol

  • Molecular FormulaC6H12O7
  • Average mass196.155 Da
  • Monoisotopic mass196.058304 Da
  • ChemSpider ID20015844

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-carboxyarabinitol
2-carboxy-D-arabinitol
2-O-Carboxy-D-arabinitol [ACD/IUPAC Name]
2-O-Carboxy-D-arabinitol [German] [ACD/IUPAC Name]
2-O-Carboxy-D-arabinitol [French] [ACD/IUPAC Name]
D-Arabinitol, 2-(hydrogen carbonate) [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 558.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.6±6.0 kJ/mol
Flash Point: 233.7±26.4 °C
Index of Refraction: 1.568
Molar Refractivity: 39.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.01
ACD/LogD (pH 5.5): -4.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 92.6±3.0 dyne/cm
Molar Volume: 119.7±3.0 cm3

Click to predict properties on the Chemicalize site


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