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Search term: O=C(O)C1=C[C@@H](O)[C@H](O)[C@H](O)O1 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 4-DEOXY-D-MANNURONIC ACID | C6H8O6

4-DEOXY-D-MANNURONIC ACID

  • Molecular FormulaC6H8O6
  • Average mass176.124 Da
  • Monoisotopic mass176.032089 Da
  • ChemSpider ID26329806
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

4-DEOXY-D-MANNURONIC ACID
4-Deoxy-β-D-threo-hex-4-enopyranuronic acid [ACD/IUPAC Name]
4-Desoxy-β-D-threo-hex-4-enopyranuronsäure [German] [ACD/IUPAC Name]
Acide 4-désoxy-β-D-thréo-hex-4-énopyranuronique [French] [ACD/IUPAC Name]
β-D-threo-Hex-4-enopyranuronic acid, 4-deoxy- [ACD/Index Name]
(2R,3S,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

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

Density: 1.9±0.1 g/cm3
Boiling Point: 438.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±6.0 kJ/mol
Flash Point: 190.4±22.2 °C
Index of Refraction: 1.690
Molar Refractivity: 35.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -3.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 132.3±3.0 dyne/cm
Molar Volume: 92.0±3.0 cm3

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