Found 3 results

Search term: RZWPRKFVZJSOTK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2alpha,3alpha,5beta,8alpha,9beta,10alpha,14beta,16beta,17alpha,18alpha)-3-(beta-L-Glucopyranosyloxy)-16,23-dihydroxy-24-oxo-2,24-epoxyolean-12-en-28-oic acid | C36H54O12

(2α,3α,5β,8α,9β,10α,14β,16β,17α,18α)-3-(β-L-Glucopyranosyloxy)-16,23-dihydroxy-24-oxo-2,24-epoxyolean-12-en-28-oic acid

  • Molecular FormulaC36H54O12
  • Average mass678.807 Da
  • Monoisotopic mass678.361511 Da
  • ChemSpider ID113601118

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2α,3α,5β,8α,9β,10α,14β,16β,17α,18α)-3-(β-L-Glucopyranosyloxy)-16,23-dihydroxy-24-oxo-2,24-epoxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3α,5β,8α,9β,10α,14β,16β,17α,18α)-3-(β-L-Glucopyranosyloxy)-16,23-dihydroxy-24-oxo-2,24-epoxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2α,3α,5β,8α,9β,10α,14β,16β,17α,18α)-3-(β-L-glucopyranosyloxy)-16,23-dihydroxy-24-oxo-2,24-époxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 2,23-epoxy-3-(β-L-glucopyranosyloxy)-16,24-dihydroxy-23-oxo-, (2α,3α,5β,8α,9β,10α,14β,16β,17α,18α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 858.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.8±6.0 kJ/mol
Flash Point: 265.7±27.8 °C
Index of Refraction: 1.630
Molar Refractivity: 170.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 16.93
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 478.5±5.0 cm3

Click to predict properties on the Chemicalize site


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