ChemSpider 2D Image | Quinoa saponin 9 | C42H66O15

Quinoa saponin 9

  • Molecular FormulaC42H66O15
  • Average mass810.964 Da
  • Monoisotopic mass810.440186 Da
  • ChemSpider ID10259058

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

1-O-[(3β)-3-(β-D-Glucopyranuronosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β)-3-(β-D-Glucopyranuronosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-3-(β-D-Glucopyranuronosyloxy)-23-hydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
Quinoa saponin 9
β-D-Glucopyranose, 1-O-[(3β)-3-(β-D-glucopyranuronosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 905.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.4±6.0 kJ/mol
Flash Point: 265.6±27.8 °C
Index of Refraction: 1.621
Molar Refractivity: 202.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 6.78
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 72.9±5.0 dyne/cm
Molar Volume: 576.4±5.0 cm3

Click to predict properties on the Chemicalize site


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