ChemSpider 2D Image | 2,6-Dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl-(1->3)-(4xi)-2,5-dideoxy-2-methyl-D-erythro-pentitol | C20H38O9

2,6-Dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl-(1->3)-(4ξ)-2,5-dideoxy-2-methyl-D-erythro-pentitol

  • Molecular FormulaC20H38O9
  • Average mass422.510 Da
  • Monoisotopic mass422.251587 Da
  • ChemSpider ID23334580

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

2,6-Dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl-(1->;3)-(4ξ)-2,5-dideoxy-2-methyl-D-erythro-pentitol [ACD/IUPAC Name]
2,6-Didesoxy-3-O-methyl-α-L-arabino-hexopyranosyl-(1->4)-2,6-didesoxy-3-O-methyl-α-L-arabino-hexopyranosyl-(1->3)-(4ξ)-2,5-didesoxy-2-methyl-D-erythro-pentitol [German] [ACD/IUPAC Name]
2,6-Didésoxy-3-O-méthyl-α-L-arabino-hexopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-α-L-arabino-hexopyranosyl-(1->3)-(4ξ)-2,5-didésoxy-2-méthyl-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, O-2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl-(1->3)-2,5-dideoxy-2-methyl-, (4ξ)- [ACD/Index Name]
(2S,3S)-3 -((2S,4S,5S,6S)-5-((2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yloxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yloxy)-2-methylpentane-1,4-diol
(2S,3S)-3-((2S,4S,5S,6S)-5-((2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yloxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yloxy)-2-methylpentane-1,4-diol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL490490/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 570.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.3±6.0 kJ/mol
Flash Point: 299.0±30.1 °C
Index of Refraction: 1.505
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 45.80
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 45.80
Polar Surface Area: 116 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 355.2±5.0 cm3

Click to predict properties on the Chemicalize site


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