ChemSpider 2D Image | (5xi,9xi,13xi,16alpha,17xi,18alpha)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl beta-D-glucopyranoside | C36H58O9

(5ξ,9ξ,13ξ,16α,17ξ,18α)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl β-D-glucopyranoside

  • Molecular FormulaC36H58O9
  • Average mass634.840 Da
  • Monoisotopic mass634.408081 Da
  • ChemSpider ID2301326

  • defined stereocentres - 10 of 16 defined stereocentres

More details:

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

(5ξ,9ξ,13ξ,16α,17ξ,18α)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(5ξ,9ξ,13ξ,16α,17ξ,18α)-16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (5ξ,9ξ,13ξ,16α,17ξ,18α)-16,23-dihydroxy-13,28-époxyoléan-11-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (5ξ,9ξ,13ξ,16α,17ξ,18α)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl [ACD/Index Name]
159121-99-0 [RN]
Clinoposaponin IX
Saikogenin F 3-glucoside
Saikogenin F 3-β-D-glucoside
β-D-Glucopyranoside, (3β,4α,16β)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl

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

Density: 1.3±0.1 g/cm3
Boiling Point: 756.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.7±6.0 kJ/mol
Flash Point: 411.4±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 168.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 306.59
ACD/KOC (pH 5.5): 2096.47
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 306.59
ACD/KOC (pH 7.4): 2096.45
Polar Surface Area: 149 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 487.8±5.0 cm3

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