ChemSpider 2D Image | citrusoside D | C31H40O15

citrusoside D

  • Molecular FormulaC31H40O15
  • Average mass652.640 Da
  • Monoisotopic mass652.236694 Da
  • ChemSpider ID26391460

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

3-O-[3-Hydroxy-5-({(2R)-3-hydroxy-3-méthyl-1-[(7-oxo-7H-furo[3,2-g]chromén-4-yl)oxy]-2-butanyl}oxy)-3-méthyl-5-oxopentanoyl]-β-D-glucopyranoside d'isopropyle [French] [ACD/IUPAC Name]
citrusoside D
Isopropyl 3-O-[3-hydroxy-5-({(2R)-3-hydroxy-3-methyl-1-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl}oxy)-3-methyl-5-oxopentanoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
Isopropyl-3-O-[3-hydroxy-5-({(2R)-3-hydroxy-3-methyl-1-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl}oxy)-3-methyl-5-oxopentanoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 1-methylethyl 3-O-[3-hydroxy-5-[(1R)-2-hydroxy-2-methyl-1-[[(7-oxo-7H-furo[3,2-g][1]benzopyran-4-yl)oxy]methyl]propoxy]-3-methyl-1,5-dioxopentyl]- [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: 843.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 464.1±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 157.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.19
ACD/KOC (pH 5.5): 142.88
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.19
ACD/KOC (pH 7.4): 142.87
Polar Surface Area: 221 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 452.3±5.0 cm3

Click to predict properties on the Chemicalize site


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