ChemSpider 2D Image | 3,4,5-Trimethoxyphenyl 2,4-dideoxy-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-threo-hexopyranoside | C20H30O11

3,4,5-Trimethoxyphenyl 2,4-dideoxy-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-threo-hexopyranoside

  • Molecular FormulaC20H30O11
  • Average mass446.446 Da
  • Monoisotopic mass446.178802 Da
  • ChemSpider ID23340114

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2,4-Didésoxy-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-thréo-hexopyranoside de 3,4,5-triméthoxyphényle [French] [ACD/IUPAC Name]
3,4,5-Trimethoxyphenyl 2,4-dideoxy-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-threo-hexopyranoside [ACD/IUPAC Name]
3,4,5-Trimethoxyphenyl-2,4-didesoxy-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
β-D-threo-Hexopyranoside, 3,4,5-trimethoxyphenyl 2,4-dideoxy-6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]- [ACD/Index Name]
3,4,5-trimethoxyphenyl 2,4-dideoxy-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-β-D-threo-hexopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL458373/
Kelampayoside A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 685.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 368.4±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 105.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.77
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.77
Polar Surface Area: 146 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 315.6±5.0 cm3

Click to predict properties on the Chemicalize site


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