ChemSpider 2D Image | soyasaponin I(1-) | C48H77O18

soyasaponin I(1-)

  • Molecular FormulaC48H77O18
  • Average mass942.115 Da
  • Monoisotopic mass941.511536 Da
  • ChemSpider ID26332918

  • Charge - Charge

    defined stereocentres - 25 of 25 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)-β-D-galactopyranosyl-(1->2)-β-D-glucopyranosiduronate [ACD/IUPAC Name]
(3β,22β)-22,24-Dihydroxyolean-12-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyranosyl-(1->2)-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
soyasaponin I(1-)
β-D-Glucopyranosiduronic acid, (3β,22β)-22,24-dihydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-β-D-galactopyranosyl-(1->2)-, ion(1-) [ACD/Index Name]
6-Désoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyranosyl-(1->2)-β-D-glucopyranosiduronate de (3β,22β)-22,24-dihydroxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]
Soyasaponin I

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

CHEBI:62916 [DBID]
  • Miscellaneous

    • Chemical Class:

      The monocarboxylic acid anion formed from soyasaponin I. It is the major microspecies present at pH 7.3. ChEBI CHEBI:62916

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

Density:
Boiling Point: 1024.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.5±6.0 kJ/mol
Flash Point: 291.2±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 35.64
ACD/KOC (pH 5.5): 76.62
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 3.60
ACD/KOC (pH 7.4): 7.75
Polar Surface Area: 298 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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