ChemSpider 2D Image | (2R,2'R,4S,4'S)-4'-(beta-D-Glucopyranosyloxy)-4,8,8'-trihydroxy-1,1'-dioxo-1,1',2,2',3,3',4,4'-octahydro-2,2'-binaphthalen-5-yl beta-D-glucopyranoside | C32H38O17

(2R,2'R,4S,4'S)-4'-(β-D-Glucopyranosyloxy)-4,8,8'-trihydroxy-1,1'-dioxo-1,1',2,2',3,3',4,4'-octahydro-2,2'-binaphthalen-5-yl β-D-glucopyranoside

  • Molecular FormulaC32H38O17
  • Average mass694.634 Da
  • Monoisotopic mass694.210876 Da
  • ChemSpider ID129240784

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(2R,2'R,4S,4'S)-4'-(β-D-Glucopyranosyloxy)-4,8,8'-trihydroxy-1,1'-dioxo-1,1',2,2',3,3',4,4'-octahydro-2,2'-binaphthalen-5-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2R,2'R,4S,4'S)-4'-(β-D-Glucopyranosyloxy)-4,8,8'-trihydroxy-1,1'-dioxo-1,1',2,2',3,3',4,4'-octahydro-2,2'-binaphthalin-5-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
[2,2'-Binaphthalene]-1,1'(2H,2'H)-dione, 4',5-bis(β-D-glucopyranosyloxy)-3,3',4,4'-tetrahydro-4,8,8'-trihydroxy-, (2R,2'R,4S,4'S)- [ACD/Index Name]
β-D-Glucopyranoside de (2R,2'R,4S,4'S)-4'-(β-D-glucopyranosyloxy)-4,8,8'-trihydroxy-1,1'-dioxo-1,1',2,2',3,3',4,4'-octahydro-2,2'-binaphtalén-5-yle [French] [ACD/IUPAC 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: 1035.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.6±3.0 kJ/mol
Flash Point: 330.9±27.8 °C
Index of Refraction: 1.747
Molar Refractivity: 159.7±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.15
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): -2.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.54
Polar Surface Area: 294 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 120.7±5.0 dyne/cm
Molar Volume: 392.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement