ChemSpider 2D Image | Soyasaponin Af | C61H94O28

Soyasaponin Af

  • Molecular FormulaC61H94O28
  • Average mass1275.382 Da
  • Monoisotopic mass1274.593140 Da
  • ChemSpider ID103881778
  • defined stereocentres - 30 of 30 defined stereocentres


More details:






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

(3β,21β,22β)-21,24-Dihydroxy-22-{[3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy}olean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,21β,22β)-21,24-Dihydroxy-22-{[3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy}olean-12-en-3-yl-2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
117230-32-7 [RN]
Acide 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronique de (3β,21β,22β)-21,24-dihydroxy-22-{[3-O-(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy}oléan-12-é n-3-yle [French] [ACD/IUPAC Name]
Soyasaponin Af
β-D-Glucopyranosiduronic acid, (3β,21β,22β)-21,24-dihydroxy-22-[[3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy]olean-12-en-3-yl 2-O-β-D-galactopyranosy l- [ACD/Index Name]
β-D-Glucopyranosiduronic acid, (3β,4β,21β,22β)-21,23-dihydroxy-22-[[3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy]olean-12-en-3-yl 2-O-β-D-galactopyranosyl-

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 303.7±0.4 cm3
#H bond acceptors: 28
#H bond donors: 11
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 5.28
ACD/KOC (pH 5.5): 19.52
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.97
Polar Surface Area: 419 Å2
Polarizability: 120.4±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 878.7±5.0 cm3

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