ChemSpider 2D Image | 4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-MANNOSE-(1->4)-BETA-D-GLUCURONIC ACID | C15H22O14

4,6-O-(1-CARBOXYETHYLIDENE)-β-D-MANNOSE-(1->4)-β-D-GLUCURONIC ACID

  • Molecular FormulaC15H22O14
  • Average mass426.327 Da
  • Monoisotopic mass426.100952 Da
  • ChemSpider ID25060648

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

4,6-O-(1-CARBOXYETHYLIDENE)-β-D-MANNOSE-(1->4)-β-D-GLUCURONIC ACID
4-O-{4,6-O-[(1S)-1-Carboxyethyliden]-β-D-mannopyranosyl}-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
4-O-{4,6-O-[(1S)-1-Carboxyethylidene]-β-D-mannopyranosyl}-β-D-glucopyranuronic acid [ACD/IUPAC Name]
Acide 4-O-{4,6-O-[(1S)-1-carboxyéthylidène]-β-D-mannopyranosyl}-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 4-O-[4,6-O-[(1S)-1-carboxyethylidene]-β-D-mannopyranosyl]- [ACD/Index Name]
(2S,3S,4R,5R,6R)-3-{[(2S,4aR,6S,7S,8R,8aS)-2-carboxy-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-4,5,6-trihydroxyoxane-2-carboxylic acid
(2S,3S,4R,5R,6R)-3-{[(2S,4aR,6S,7S,8R,8aS)-2-carboxy-7,8-dihydroxy-2-methyl-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy}-4,5,6-trihydroxyoxane-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: 798.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.3±6.0 kJ/mol
Flash Point: 289.7±26.4 °C
Index of Refraction: 1.651
Molar Refractivity: 84.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -6.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 108.4±5.0 dyne/cm
Molar Volume: 232.3±5.0 cm3

Click to predict properties on the Chemicalize site


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