ChemSpider 2D Image | (3beta,16alpha)-3-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-16,23-dihydroxyolean-12-en-28-oic acid | C41H66O13

(3β,16α)-3-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-16,23-dihydroxyolean-12-en-28-oic acid

  • Molecular FormulaC41H66O13
  • Average mass766.955 Da
  • Monoisotopic mass766.450317 Da
  • ChemSpider ID9269063

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(3β,16α)-3-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-16,23-dihydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β,16α)-3-{[2-O-(6-Desoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-16,23-dihydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,16α)-3-{[2-O-(6-désoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-16,23-dihydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-16,23-dihydroxy-, (3β,16α)- [ACD/Index Name]
(4Ar,5R,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
243857-99-0 [RN]
Glycoside L-F2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 877.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.9±6.0 kJ/mol
Flash Point: 259.5±27.8 °C
Index of Refraction: 1.610
Molar Refractivity: 196.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 546.95
ACD/KOC (pH 5.5): 1493.64
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 8.76
ACD/KOC (pH 7.4): 23.92
Polar Surface Area: 216 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 566.6±5.0 cm3

Click to predict properties on the Chemicalize site


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