ChemSpider 2D Image | 2,6-anhydro-3-deoxy-D-erythro-non-2-enonic acid | C9H14O8

2,6-anhydro-3-deoxy-D-erythro-non-2-enonic acid

  • Molecular FormulaC9H14O8
  • Average mass250.203 Da
  • Monoisotopic mass250.068863 Da
  • ChemSpider ID23156131

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

2,6-Anhydro-3-deoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]hex-2-enonic acid [ACD/IUPAC Name]
2,6-anhydro-3-deoxy-D-erythro-non-2-enonic acid
2,6-Anhydro-3-desoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide 2,6-anhydro-3-désoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]hex-2-énonique [French] [ACD/IUPAC Name]
D-erythro-Non-2-enonic acid, 2,6-anhydro-3-deoxy- [ACD/Index Name]
188854-96-8 [RN]
2,6-Anhydro-3-deoxy-D-glycero-D-galacto-non-2-enoic Acid
2,6-Anhydro-3-deoxy-D-glycero-D-galacto-non-2-enoicAcid
4,5-Dihydroxy-6-((1R,2R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point: 692.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.0±6.0 kJ/mol
Flash Point: 275.5±25.0 °C
Index of Refraction: 1.665
Molar Refractivity: 52.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.44
ACD/LogD (pH 5.5): -4.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 118.7±3.0 dyne/cm
Molar Volume: 140.0±3.0 cm3

Click to predict properties on the Chemicalize site


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