Found 1 result

Search term: OC[C@H]1O[C@H](CC(=O)C(O)=O)[C@@H](O)[C@@H]1O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (1R)-1,4-Anhydro-1-(2-carboxy-2-oxoethyl)-D-arabinitol | C8H12O7

(1R)-1,4-Anhydro-1-(2-carboxy-2-oxoethyl)-D-arabinitol

  • Molecular FormulaC8H12O7
  • Average mass220.177 Da
  • Monoisotopic mass220.058304 Da
  • ChemSpider ID59053850

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R)-1,4-Anhydro-1-(2-carboxy-2-oxoethyl)-D-arabinitol [German] [ACD/IUPAC Name]
(1R)-1,4-Anhydro-1-(2-carboxy-2-oxoethyl)-D-arabinitol [ACD/IUPAC Name]
(1R)-1,4-Anhydro-1-(2-carboxy-2-oxoéthyl)-D-arabinitol [French] [ACD/IUPAC Name]
D-manno-2-Octulosonic acid, 4,7-anhydro-3-deoxy- [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: 493.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.6±6.0 kJ/mol
Flash Point: 202.7±19.4 °C
Index of Refraction: 1.565
Molar Refractivity: 45.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -4.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 77.7±3.0 dyne/cm
Molar Volume: 138.1±3.0 cm3

Click to predict properties on the Chemicalize site


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