ChemSpider 2D Image | Aviculin | C26H34O10

Aviculin

  • Molecular FormulaC26H34O10
  • Average mass506.542 Da
  • Monoisotopic mass506.215210 Da
  • ChemSpider ID8566919

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(1S,2R,3R)-7-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
[(1S,2R,3R)-7-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthalinyl]methyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de [(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-méthoxyphényl)-3-(hydroxyméthyl)-6-méthoxy-1,2,3,4-tétrahydro-2-naphtalényl]méthyle [French] [ACD/IUPAC Name]
Aviculin [Wiki]
α-L-Mannopyranoside, [(1S,2R,3R)-1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-2-naphthalenyl]methyl 6-deoxy- [ACD/Index Name]
A-L-MANNOPYRANOSIDE,[(1S,2R,3R)-1,2,3,4-TETRAHYDRO-7-HYDROXY-1-(4-HYDROXY-3-METHOXYPHENYL)-3-(HYDROXYMETHYL)-6-METHOXY-2-NAPHTHALENYL]METHYL6-DEOXY-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 727.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 394.0±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.63
ACD/KOC (pH 5.5): 69.44
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 69.20
Polar Surface Area: 158 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 351.1±5.0 cm3

Click to predict properties on the Chemicalize site


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