ChemSpider 2D Image | [(2R,2'R,4a'S,6'S,7'R,8a'S)-7-Formyl-4,6',7'-trihydroxy-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 | C29H42O11

[(2R,2'R,4a'S,6'S,7'R,8a'S)-7-Formyl-4,6',7'-trihydroxy-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 FormulaC29H42O11
  • Average mass566.637 Da
  • Monoisotopic mass566.272705 Da
  • ChemSpider ID30771443

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

[(2R,2'R,4a'S,6'S,7'R,8a'S)-7-Formyl-4,6',7'-trihydroxy-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'S,7'R,8a'S)-7-Formyl-4,6',7'-trihydroxy-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',7'-trihydroxy-2',5',5',8'a-tetramethyl-, (2R,2'R,4a'S,6'S,7 'R,8a'S)- [ACD/Index Name]
α-D-Glucopyranoside de [(2R,2'R,4a'S,6'S,7'R,8a'S)-7-formyl-4,6',7'-trihydroxy-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 B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 764.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.8±3.0 kJ/mol
Flash Point: 247.5±26.4 °C
Index of Refraction: 1.643
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.91
ACD/KOC (pH 5.5): 152.49
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.16
ACD/KOC (pH 7.4): 80.19
Polar Surface Area: 186 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 77.8±5.0 dyne/cm
Molar Volume: 390.4±5.0 cm3

Click to predict properties on the Chemicalize site


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