ChemSpider 2D Image | [(2R,2'R,4a'S,6'R,8a'S)-7-Formyl-4,6'-dihydroxy-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalen]-6-yl]methyl alpha-D-glucopyranoside | C29H42O10

[(2R,2'R,4a'S,6'R,8a'S)-7-Formyl-4,6'-dihydroxy-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalen]-6-yl]methyl α-D-glucopyranoside

  • Molecular FormulaC29H42O10
  • Average mass550.638 Da
  • Monoisotopic mass550.277771 Da
  • ChemSpider ID30771442

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[(2R,2'R,4a'S,6'R,8a'S)-7-Formyl-4,6'-dihydroxy-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalen]-6-yl]methyl α-D-glucopyranoside [ACD/IUPAC Name]
[(2R,2'R,4a'S,6'R,8a'S)-7-Formyl-4,6'-dihydroxy-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalen]-6-yl]methyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
Spiro[benzofuran-2(3H),1'(2'H)-naphthalene]-7-carboxaldehyde, 6-[(α-D-glucopyranosyloxy)methyl]-3',4',4'a,5',6',7',8',8'a-octahydro-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-, (2R,2'R,4a'S,6'R,8a'S) - [ACD/Index Name]
α-D-Glucopyranoside de [(2R,2'R,4a'S,6'R,8a'S)-7-formyl-4,6'-dihydroxy-2',5',5',8a'-tétraméthyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalen]-6-yl]méthyle [French] [ACD/IUPAC Name]
stachyboside A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 747.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 242.4±26.4 °C
Index of Refraction: 1.630
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 36.81
ACD/KOC (pH 5.5): 458.30
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 19.72
ACD/KOC (pH 7.4): 245.50
Polar Surface Area: 166 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 392.6±5.0 cm3

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