ChemSpider 2D Image | (3beta,5xi,6alpha,9xi,12beta,14beta,24R)-3,12,25-Trihydroxy-20,24-epoxydammaran-6-yl beta-D-glucopyranoside | C36H62O10

(3β,5ξ,6α,9ξ,12β,14β,24R)-3,12,25-Trihydroxy-20,24-epoxydammaran-6-yl β-D-glucopyranoside

  • Molecular FormulaC36H62O10
  • Average mass654.872 Da
  • Monoisotopic mass654.434326 Da
  • ChemSpider ID58802466

  • defined stereocentres - 15 of 17 defined stereocentres

More details:

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

(3β,5ξ,6α,9ξ,12β,14β,24R)-3,12,25-Trihydroxy-20,24-epoxydammaran-6-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5ξ,6α,9ξ,12β,14β,24R)-3,12,25-Trihydroxy-20,24-epoxydammaran-6-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β,5ξ,6α,9ξ,12β,14β,24R)-3,12,25-trihydroxy-20,24-époxydammaran-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5ξ,6α,9ξ,12β,14β,24R)-20,24-epoxy-3,12,25-trihydroxydammaran-6-yl [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[[(3S,6S,8R,10R,12R,13R,14S,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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
98474-78-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 759.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.2±6.0 kJ/mol
Flash Point: 413.1±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 172.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.84
ACD/KOC (pH 5.5): 405.10
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.84
ACD/KOC (pH 7.4): 405.10
Polar Surface Area: 169 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 511.9±5.0 cm3

Click to predict properties on the Chemicalize site


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