ChemSpider 2D Image | (3alpha,5xi,9beta,18alpha,21alpha)-21-(beta-D-Glucopyranosyloxy)-3,24-dihydroxyolean-12-en-28-oic acid | C36H58O10

(3α,5ξ,9β,18α,21α)-21-(β-D-Glucopyranosyloxy)-3,24-dihydroxyolean-12-en-28-oic acid

  • Molecular FormulaC36H58O10
  • Average mass650.840 Da
  • Monoisotopic mass650.403015 Da
  • ChemSpider ID161191

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

(3α,5ξ,9β,18α,21α)-21-(β-D-Glucopyranosyloxy)-3,24-dihydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3α,5ξ,9β,18α,21α)-21-(β-D-Glucopyranosyloxy)-3,24-dihydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3α,5ξ,9β,18α,21α)-21-(β-D-glucopyranosyloxy)-3,24-dihydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 21-(β-D-glucopyranosyloxy)-3,24-dihydroxy-, (3α,5ξ,9β,18α,21α)- [ACD/Index Name]
96304-76-6 [RN]
OLEAN-12-EN-28-OIC ACID21-(D-GLUCOPYRANOSYLOXY)-3,23- DIHYDROXY-,(34R,21-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 786.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.4±6.0 kJ/mol
Flash Point: 239.9±26.4 °C
Index of Refraction: 1.606
Molar Refractivity: 170.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 51.55
ACD/KOC (pH 5.5): 273.92
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.39
Polar Surface Area: 177 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 494.0±5.0 cm3

Click to predict properties on the Chemicalize site


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