ChemSpider 2D Image | 1-O-[(3beta,19alpha)-3,19,24-Trihydroxy-24,28-dioxoolean-12-en-28-yl]-beta-D-glucopyranose | C36H56O11

1-O-[(3β,19α)-3,19,24-Trihydroxy-24,28-dioxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC36H56O11
  • Average mass664.823 Da
  • Monoisotopic mass664.382263 Da
  • ChemSpider ID71041985

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

1-O-[(3β,19α)-3,19,24-Trihydroxy-24,28-dioxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β,19α)-3,19,24-Trihydroxy-24,28-dioxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β,19α)-3,19,24-Trihydroxy-24,28-dioxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β,19α)-3,19,24-trihydroxy-24,28-dioxoolean-12-en-28-yl]- [ACD/Index Name]
(3S,4R,4aR,6aR,6bS,8aR,12S,12aS,14aR,14bR)-3,12-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1137648-52-2 [RN]
ilexhainanoside D

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

Density: 1.4±0.1 g/cm3
Boiling Point: 788.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.6±6.0 kJ/mol
Flash Point: 240.1±26.4 °C
Index of Refraction: 1.611
Molar Refractivity: 170.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 103.38
ACD/KOC (pH 5.5): 424.80
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 6.99
Polar Surface Area: 194 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 490.7±5.0 cm3

Click to predict properties on the Chemicalize site


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