ChemSpider 2D Image | 4-(beta-D-Glucopyranosyloxy)-2-hydroxy-1-naphthyl beta-D-glucopyranoside | C22H28O13

4-(β-D-Glucopyranosyloxy)-2-hydroxy-1-naphthyl β-D-glucopyranoside

  • Molecular FormulaC22H28O13
  • Average mass500.450 Da
  • Monoisotopic mass500.152985 Da
  • ChemSpider ID164600
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

4-(β-D-Glucopyranosyloxy)-2-hydroxy-1-naphthyl β-D-glucopyranoside [ACD/IUPAC Name]
4-(β-D-Glucopyranosyloxy)-2-hydroxy-1-naphthyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-(β-D-glucopyranosyloxy)-2-hydroxy-1-naphtyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-(β-D-glucopyranosyloxy)-2-hydroxy-1-naphthalenyl [ACD/Index Name]
(2R,2'R,3S,3'S,4S,4'S,5R,5'R,6S,6'S)-6,6'-((2-Hydroxynaphthalene-1,4-diyl)bis(oxy))bis(2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol)
(4bS,6S,8aS)-6-Methoxy-1,4,6,7,8,8a,9,10,12,13-decahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one [ACD/IUPAC Name]
116964-02-4 [RN]
Lawsoniaside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 875.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.3±3.0 kJ/mol
Flash Point: 483.3±34.3 °C
Index of Refraction: 1.723
Molar Refractivity: 117.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -3.01
ACD/LogD (pH 5.5): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 87.6±3.0 dyne/cm
Molar Volume: 296.1±3.0 cm3

Click to predict properties on the Chemicalize site






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