Found 2 results

Search term: NUEBEIKZSSGNLI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3aR,14R,14aR)-6,7,8-Trimethoxy-3-oxo-1,3,3a,4,14,14a-hexahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-14-yl alpha-L-gulopyranoside | C28H32O13

(3aR,14R,14aR)-6,7,8-Trimethoxy-3-oxo-1,3,3a,4,14,14a-hexahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-14-yl α-L-gulopyranoside

  • Molecular FormulaC28H32O13
  • Average mass576.546 Da
  • Monoisotopic mass576.184265 Da
  • ChemSpider ID28531391

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3aR,14R,14aR)-6,7,8-Trimethoxy-3-oxo-1,3,3a,4,14,14a-hexahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-14-yl α-L-gulopyranoside [ACD/IUPAC Name]
(3aR,14R,14aR)-6,7,8-Trimethoxy-3-oxo-1,3,3a,4,14,14a-hexahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-14-yl-α-L-gulopyranosid [German] [ACD/IUPAC Name]
Benzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-3(1H)-one, 14-(α-L-gulopyranosyloxy)-3a,4,14,14a-tetrahydro-6,7,8-trimethoxy-, (3aR,14R,14aR)- [ACD/Index Name]
α-L-Gulopyranoside de (3aR,14R,14aR)-6,7,8-triméthoxy-3-oxo-1,3,3a,4,14,14a-hexahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-14-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 832.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.9±3.0 kJ/mol
Flash Point: 276.5±27.8 °C
Index of Refraction: 1.663
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.33
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.33
Polar Surface Area: 172 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 79.6±5.0 dyne/cm
Molar Volume: 370.8±5.0 cm3

Click to predict properties on the Chemicalize site


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