ChemSpider 2D Image | Sudachiin B | C29H32O17

Sudachiin B

  • Molecular FormulaC29H32O17
  • Average mass652.554 Da
  • Monoisotopic mass652.163940 Da
  • ChemSpider ID10306096

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2-Methoxy-4-(5,7,8-trihydroxy-6-methoxy-4-oxo-4H-chromen-2-yl)phenyl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-Methoxy-4-(5,7,8-trihydroxy-6-methoxy-4-oxo-4H-chromen-2-yl)phenyl-6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(4-Carboxy-3-hydroxy-3-méthylbutanoyl)-β-D-glucopyranoside de 2-méthoxy-4-(5,7,8-trihydroxy-6-méthoxy-4-oxo-4H-chromén-2-yl)phényle [French] [ACD/IUPAC Name]
Sudachiin B
β-D-Glucopyranoside, 2-methoxy-4-(5,7,8-trihydroxy-6-methoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl, 6-(4-carboxy-3-hydroxy-3-methylbutanoate) [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1008.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.2±3.0 kJ/mol
Flash Point: 327.1±27.8 °C
Index of Refraction: 1.659
Molar Refractivity: 150.0±0.3 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.43
ACD/LogD (pH 5.5): -1.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 83.7±3.0 dyne/cm
Molar Volume: 406.8±3.0 cm3

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