ChemSpider 2D Image | 4-(1,3-Benzodioxol-5-yl)-2-(hydroxymethyl)-6,7-dimethoxy-3-methyl-1-naphthyl beta-D-glucopyranoside | C27H30O11

4-(1,3-Benzodioxol-5-yl)-2-(hydroxymethyl)-6,7-dimethoxy-3-methyl-1-naphthyl β-D-glucopyranoside

  • Molecular FormulaC27H30O11
  • Average mass530.521 Da
  • Monoisotopic mass530.178833 Da
  • ChemSpider ID418839

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-(1,3-Benzodioxol-5-yl)-2-(hydroxymethyl)-6,7-dimethoxy-3-methyl-1-naphthyl β-D-glucopyranoside [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-2-(hydroxymethyl)-6,7-dimethoxy-3-methyl-1-naphthyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-(1,3-benzodioxol-5-yl)-2-(hydroxyméthyl)-6,7-diméthoxy-3-méthyl-1-naphtyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)-6,7-dimethoxy-3-methyl-1-naphthalenyl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-(4-Benzo[1,3]dioxol-5-yl-2-hydroxymethyl-6,7-dimethoxy-3-methyl-naphthalen-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triolydro-pyran-3,4,5-triol
4-(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)-6,7-dimethoxy-3-methylnaphthalen-1-yl β-D-glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL468663/
Phyllamyricoside A

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

AIDS088385 [DBID]
AIDS-088385 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 743.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 403.6±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 135.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 3.01
ACD/KOC (pH 5.5): 76.55
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 3.01
ACD/KOC (pH 7.4): 76.55
Polar Surface Area: 157 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 365.2±3.0 cm3

Click to predict properties on the Chemicalize site


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