ChemSpider 2D Image | Naucleoside B | C26H28N2O9

Naucleoside B

  • Molecular FormulaC26H28N2O9
  • Average mass512.508 Da
  • Monoisotopic mass512.179504 Da
  • ChemSpider ID8544586

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(16α,17β)-19-Hydroxy-21-oxo-16-vinyl-14,15,19,20-tetradehydro-18-oxajohimban-17-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(16α,17β)-19-Hydroxy-21-oxo-16-vinyl-14,15,19,20-tetradehydro-18-oxayohimban-17-yl β-D-glucopyranoside [ACD/IUPAC Name]
Naucleoside B
Oxayohimban-21-one, 14,15,19,20-tetradehydro-16-ethenyl-17-(β-D-glucopyranosyloxy)-19-hydroxy-, (16α,17β)- [ACD/Index Name]
β-D-Glucopyranoside de (16α,17β)-19-hydroxy-21-oxo-16-vinyl-14,15,19,20-tétradéhydro-18-oxayohimban-17-yle [French] [ACD/IUPAC Name]
(16α,17β)-16-ethenyl-19-hydroxy-21-oxo-14,15,19,20-tetradehydro-18-oxayohimban-17-yl β-D-glucopyranoside
14,15,19,20-tetradehydro-16-ethenyl-17-(β-D-glucopyranosyloxy)-19-hydroxy-(3α,16α,17β)-oxayohimban-21-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL464839/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 864.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 476.3±34.3 °C
Index of Refraction: 1.755
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.60
ACD/LogD (pH 7.4): -3.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 95.6±5.0 dyne/cm
Molar Volume: 315.3±5.0 cm3

Click to predict properties on the Chemicalize site


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