ChemSpider 2D Image | (3S)-3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropyl alpha-L-galactopyranoside | C25H28O11

(3S)-3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropyl α-L-galactopyranoside

  • Molecular FormulaC25H28O11
  • Average mass504.483 Da
  • Monoisotopic mass504.163147 Da
  • ChemSpider ID62450245

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S)-3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropyl α-L-galactopyranoside [ACD/IUPAC Name]
(3S)-3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]-3-hydroxypropyl-α-L-galactopyranosid [German] [ACD/IUPAC Name]
α-L-Galactopyranoside de (3S)-3-[2-(1,3-benzodioxol-5-yl)-7-méthoxy-1-benzofuran-5-yl]-3-hydroxypropyle [French] [ACD/IUPAC Name]
α-L-Galactopyranoside, (3S)-3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-5-benzofuranyl]-3-hydroxypropyl [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 790.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 431.9±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 124.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.09
ACD/KOC (pH 5.5): 59.03
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 2.09
ACD/KOC (pH 7.4): 59.03
Polar Surface Area: 160 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 83.9±5.0 dyne/cm
Molar Volume: 326.0±5.0 cm3

Click to predict properties on the Chemicalize site


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