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

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

  • Molecular FormulaC36H62O9
  • Average mass638.872 Da
  • Monoisotopic mass638.439392 Da
  • ChemSpider ID58802456

  • 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,20R)-3,6,12-Trihydroxydammar-24-en-20-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5ξ,6α,9ξ,12β,14β,20R)-3,6,12-Trihydroxydammar-24-en-20-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β,5ξ,6α,9ξ,12β,14β,20R)-3,6,12-trihydroxydammar-24-én-20-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5ξ,6α,9ξ,12β,14β,20R)-3,6,12-trihydroxydammar-24-en-20-yl [ACD/Index Name]
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R)-6-methyl-2-[(3S,6S,8R,10R,12R,13R,14S,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol
53963-43-2 [RN]
MFCD06410947

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

Density: 1.2±0.1 g/cm3
Boiling Point: 751.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.0±6.0 kJ/mol
Flash Point: 408.4±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: 3.80
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 214.24
ACD/KOC (pH 5.5): 1622.05
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 214.24
ACD/KOC (pH 7.4): 1622.04
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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