ChemSpider 2D Image | Soyasaponin II | C47H76O17

Soyasaponin II

  • Molecular FormulaC47H76O17
  • Average mass913.096 Da
  • Monoisotopic mass912.508240 Da
  • ChemSpider ID391764

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β,22β)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->2)-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,22β)-22,24-Dihydroxyolean-12-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->2)-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
55319-36-3 [RN]
Acide 6-désoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->2)-β-D-glucopyranosiduronique de (3β,22β)-22,24-dihydroxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]
Soyasaponin II
β-D-Glucopyranosiduronic acid, (3β,22β)-22,24-dihydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-α-L-arabinopyranosyl-(1->2)- [ACD/Index Name]
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(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-3,4-dihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,12aR,14aS,14bR)-9-hydro xy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8 ,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5 -dihydroxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy -oxan-2-yl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid
SOYASAPONIN II(SH)

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

C12081 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 992.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.1±6.0 kJ/mol
Flash Point: 283.8±27.8 °C
Index of Refraction: 1.618
Molar Refractivity: 228.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 8.89
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 64.43
ACD/KOC (pH 5.5): 117.07
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 6.51
ACD/KOC (pH 7.4): 11.84
Polar Surface Area: 275 Å2
Polarizability: 90.6±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 652.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement