ChemSpider 2D Image | Melilotoside A2 | C36H58O9

Melilotoside A2

  • Molecular FormulaC36H58O9
  • Average mass634.840 Da
  • Monoisotopic mass634.408081 Da
  • ChemSpider ID10245006

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3β,22β)-22,24-Dihydroxyolean-12-en-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,22β)-22,24-Dihydroxyolean-12-en-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
99541-89-6 [RN]
Acide β-D-glucopyranosiduronique de (3β,22β)-22,24-dihydroxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]
Melilotoside A2
soyasapogenol B 3-O-β-glucuronide
β-D-Glucopyranosiduronic acid, (3β,22β)-22,24-dihydroxyolean-12-en-3-yl [ACD/Index Name]
soyasapogenol B monoglucuronide
soyasapogenol B-3-O-glucuronide
soyasapogenol B-3-O-β-glucuronide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 751.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.0±6.0 kJ/mol
Flash Point: 228.2±26.4 °C
Index of Refraction: 1.595
Molar Refractivity: 168.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 7.70
ACD/KOC (pH 5.5): 23.78
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.03
Polar Surface Area: 157 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 496.9±5.0 cm3

Click to predict properties on the Chemicalize site


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