ChemSpider 2D Image | 20(R)-Notoginsenoside R2 | C41H70O13

20(R)-Notoginsenoside R2

  • Molecular FormulaC41H70O13
  • Average mass770.987 Da
  • Monoisotopic mass770.481628 Da
  • ChemSpider ID58807068

  • defined stereocentres - 18 of 20 defined stereocentres

More details:

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

(3α,5ξ,6β,9ξ,12α,13α,14β,20R)-3,12,20-Trihydroxydammar-24-en-6-yl 2-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3α,5ξ,6β,9ξ,12α,13α,14β,20R)-3,12,20-Trihydroxydammar-24-en-6-yl-2-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
20(R)-Notoginsenoside R2
2-O-β-D-Xylopyranosyl-β-D-glucopyranoside de (3α,5ξ,6β,9ξ,12α,13α,14β,20R)-3,12,20-trihydroxydammar-24-én-6-yle [French] [ACD/IUPAC Name]
948046-15-9 [RN]
β-D-Glucopyranoside, (3α,5ξ,6β,9ξ,12α,13α,14β,20R)-3,12,20-trihydroxydammar-24-en-6-yl 2-O-β-D-xylopyranosyl- [ACD/Index Name]
(2S,3R,4S,5R)-2-(((2R,3R,4S,5S,6R)-2-(((3R,6R,8R,10R,12S,13S,14S,17S)-3,12-dihydroxy-17-((R)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-6-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol
MFCD22125014

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 878.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.1±6.0 kJ/mol
Flash Point: 485.2±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 199.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2173.35
ACD/KOC (pH 5.5): 8512.10
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2173.35
ACD/KOC (pH 7.4): 8512.07
Polar Surface Area: 219 Å2
Polarizability: 79.2±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 586.7±5.0 cm3

Click to predict properties on the Chemicalize site


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