ChemSpider 2D Image | (3beta)-5,16-Dihydroxygrayanotox-10-en-3-yl beta-D-glucopyranoside | C26H42O8

(3β)-5,16-Dihydroxygrayanotox-10-en-3-yl β-D-glucopyranoside

  • Molecular FormulaC26H42O8
  • Average mass482.607 Da
  • Monoisotopic mass482.287964 Da
  • ChemSpider ID114928748

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β)-5,16-Dihydroxygrayanotox-10-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β)-5,16-Dihydroxygrayanotox-10-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β)-5,16-dihydroxygrayanotox-10-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β)-5,16-dihydroxygrayanotox-10-en-3-yl [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[[(1S,4R,6S,8S,10R,13R,14R)-4,14-dihydroxy-5,5,14-trimethyl-9-methylidene-6-tetracyclo[11.2.1.01,10.04,8]hexadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
308335-44-6 [RN]
Pierisformoside B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 660.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±6.0 kJ/mol
Flash Point: 353.1±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.02
ACD/KOC (pH 5.5): 76.84
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.02
ACD/KOC (pH 7.4): 76.84
Polar Surface Area: 140 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 358.9±5.0 cm3

Click to predict properties on the Chemicalize site


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