ChemSpider 2D Image | (1R,4R,5R,7R,9R,10S,13S,15S)-15-Hydroxy-9-methyl-7-{[2-O-(3-methylbutanoyl)-beta-D-glucopyranosyl]oxy}-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-5-carboxylic acid | C30H46O10

(1R,4R,5R,7R,9R,10S,13S,15S)-15-Hydroxy-9-methyl-7-{[2-O-(3-methylbutanoyl)-β-D-glucopyranosyl]oxy}-14-methylenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

  • Molecular FormulaC30H46O10
  • Average mass566.680 Da
  • Monoisotopic mass566.309082 Da
  • ChemSpider ID8613341

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1R,4R,5R,7R,9R,10S,13S,15S)-15-Hydroxy-9-methyl-7-{[2-O-(3-methylbutanoyl)-β-D-glucopyranosyl]oxy}-14-methylenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid [ACD/IUPAC Name]
(1R,4R,5R,7R,9R,10S,13S,15S)-15-Hydroxy-9-methyl-7-{[2-O-(3-methylbutanoyl)-β-D-glucopyranosyl]oxy}-14-methylentetracyclo[11.2.1.01,10.04,9]hexadecan-5-carbonsäure [German] [ACD/IUPAC Name]
Acide (1R,4R,5R,7R,9R,10S,13S,15S)-15-hydroxy-9-méthyl-7-{[2-O-(3-méthylbutanoyl)-β-D-glucopyranosyl]oxy}-14-méthylènetétracyclo[11.2.1.01,10.04,9]hexadécane-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 725.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 231.1±26.4 °C
Index of Refraction: 1.586
Molar Refractivity: 143.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 23.87
ACD/KOC (pH 5.5): 165.79
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.63
Polar Surface Area: 163 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 426.4±5.0 cm3

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