ChemSpider 2D Image | (11S,12R)piericidin C1 10-O-β-D-glucoside | C31H47NO10

(11S,12R)piericidin C1 10-O-β-D-glucoside

  • Molecular FormulaC31H47NO10
  • Average mass593.706 Da
  • Monoisotopic mass593.320007 Da
  • ChemSpider ID88293814

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(11S,12R)piericidin C1 10-O-β-D-glucoside
(5R)-4,5-Anhydro-1,2-dideoxy-3-O-β-D-glucopyranosyl-2-[(1E,3E,6E)-8-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-2,6-dimethyl-1,3,6-octatrien-1-yl]-4,5-dimethyl-L-arabinitol [ACD/IUPAC Name]
(5R)-4,5-Anhydro-1,2-didesoxy-3-O-β-D-glucopyranosyl-2-[(1E,3E,6E)-8-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-2,6-dimethyl-1,3,6-octatrien-1-yl]-4,5-dimethyl-L-arabinitol [German] [ACD/IUPAC Name]
(5R)-4,5-Anhydro-1,2-didésoxy-3-O-β-D-glucopyranosyl-2-[(1E,3E,6E)-8-(4-hydroxy-5,6-diméthoxy-3-méthyl-2-pyridinyl)-2,6-diméthyl-1,3,6-octatrién-1-yl]-4,5-diméthyl-L-arabinitol [French] [ACD/IUPAC Name]
L-Arabinitol, 4,5-anhydro-1,2-dideoxy-3-O-β-D-glucopyranosyl-2-[(1E,3E,6E)-8-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-2,6-dimethyl-1,3,6-octatrien-1-yl]-4,5-di-C-methyl-, (5R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4526991/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 820.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 449.8±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 156.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.76
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.28
Polar Surface Area: 163 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 467.8±5.0 cm3

Click to predict properties on the Chemicalize site


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