ChemSpider 2D Image | (3beta,5xi,6alpha,9xi,12beta,14beta)-3,12,20-Trihydroxydammar-24-en-6-yl beta-D-glucopyranoside | C36H62O9

(3β,5ξ,6α,9ξ,12β,14β)-3,12,20-Trihydroxydammar-24-en-6-yl β-D-glucopyranoside

  • Molecular FormulaC36H62O9
  • Average mass638.872 Da
  • Monoisotopic mass638.439392 Da
  • ChemSpider ID58802479

  • defined stereocentres - 14 of 16 defined stereocentres

More details:

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

(3β,5ξ,6α,9ξ,12β,14β)-3,12,20-Trihydroxydammar-24-en-6-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5ξ,6α,9ξ,12β,14β)-3,12,20-Trihydroxydammar-24-en-6-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β,5ξ,6α,9ξ,12β,14β)-3,12,20-trihydroxydammar-24-én-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5ξ,6α,9ξ,12β,14β)-3,12,20-trihydroxydammar-24-en-6-yl [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[[(3S,6S,8R,10R,12R,13R,14S,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
63223-86-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 755.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.5±6.0 kJ/mol
Flash Point: 410.5±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 172.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.94
ACD/KOC (pH 5.5): 1620.41
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 213.93
ACD/KOC (pH 7.4): 1620.40
Polar Surface Area: 160 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 516.9±5.0 cm3

Click to predict properties on the Chemicalize site


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