ChemSpider 2D Image | Sutherlandin D | C32H36O19

Sutherlandin D

  • Molecular FormulaC32H36O19
  • Average mass724.617 Da
  • Monoisotopic mass724.185059 Da
  • ChemSpider ID76871199

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

1221746-21-9 [RN]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(4-Carboxy-3-hydroxy-3-méthylbutanoyl)-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Sutherlandin D
β-D-Glucopyranoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-, 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: 1.8±0.1 g/cm3
Boiling Point: 1104.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 170.0±3.0 kJ/mol
Flash Point: 350.3±27.8 °C
Index of Refraction: 1.722
Molar Refractivity: 163.4±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 114.0±5.0 dyne/cm
Molar Volume: 413.0±5.0 cm3

Click to predict properties on the Chemicalize site


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