ChemSpider 2D Image | alpha-Kdo-CH2OH-(2->4)-alpha-Kdo | C16H28O14

α-Kdo-CH2OH-(2->4)-α-Kdo

  • Molecular FormulaC16H28O14
  • Average mass444.385 Da
  • Monoisotopic mass444.147919 Da
  • ChemSpider ID26332336

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(6R)-3-Deoxy-4-O-{(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranosyl}-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(6R)-3-Desoxy-4-O-{(6R)-3-desoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranosyl}-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (6R)-3-désoxy-4-O-{(6R)-3-désoxy-6-[(1R)-1,2-dihydroxyéthyl]-β-L-érythro-hex-2-ulopyranosyl}-6-[(1R)-1,2-dihydroxyéthyl]-β-L-érythro-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
α-D-manno-2-Octulopyranosonic acid, 3-deoxy-4-O-(3-deoxy-α-D-manno-2-octulopyranosyl)- [ACD/Index Name]
α-Kdo-CH2OH-(2->4)-α-Kdo
3-deoxy-4-O-(3-deoxy-α-D-manno-oct-2-ulopyranosyl)-α-D-manno-oct-2-ulopyranosonic acid
3-deoxy-α-D-manno-oct-2-ulopyranosyl-(2->4)-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid
missing
α-KdoC1red-(2->4)-α-Kdo
  • Miscellaneous

    • Chemical Class:

      A disaccharide comprising 3-deoxy-<stereo>alpha</stereo>-<stereo>D</stereo>-<stereo>manno</stereo>-oct-2-ulopyranose (Kdo) having a 3-deoxy-<stereo>alpha</stereo>-<stereo>D</stereo>-<stereo>manno</ste reo>-oct-2-ulopyranosyl (Kdo-CH<smallsub>2</smallsub>OH) residue attached at the 4-position. ChEBI CHEBI:61716
      A disaccharide comprising 3-deoxy-alpha-D-manno-oct-2-ulopyranose (Kdo) having a 3-deoxy-alpha-D-manno-oct-2-ulopyranosyl (Kdo-CH2OH) residue attached at the 4-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61716, CHEBI:61716

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

Density: 1.8±0.1 g/cm3
Boiling Point: 894.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.6±6.0 kJ/mol
Flash Point: 316.2±27.8 °C
Index of Refraction: 1.665
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.29
ACD/LogD (pH 5.5): -6.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 247 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 119.5±5.0 dyne/cm
Molar Volume: 249.4±5.0 cm3

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