ChemSpider 2D Image | 6-[(1S,3aR,4S,6aR)-4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside | C32H38O17

6-[(1S,3aR,4S,6aR)-4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC32H38O17
  • Average mass694.634 Da
  • Monoisotopic mass694.210876 Da
  • ChemSpider ID71298833

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

157469-82-4 [RN]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 6-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tétrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yle [French] [ACD/IUPAC Name]
6-[(1S,3aR,4S,6aR)-4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
6-[(1S,3aR,4S,6aR)-4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
6-[(1S,3aR,4S,6aR)-4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 6-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 916.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.7±3.0 kJ/mol
Flash Point: 508.3±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 159.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.90
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.90
Polar Surface Area: 234 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 98.5±5.0 dyne/cm
Molar Volume: 408.6±5.0 cm3

Click to predict properties on the Chemicalize site


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