ChemSpider 2D Image | (2S,3E)-4-[(1S,5S,8S)-8-Hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl]-3-buten-2-yl beta-D-glucopyranoside | C19H30O9

(2S,3E)-4-[(1S,5S,8S)-8-Hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl]-3-buten-2-yl β-D-glucopyranoside

  • Molecular FormulaC19H30O9
  • Average mass402.436 Da
  • Monoisotopic mass402.188995 Da
  • ChemSpider ID24666357
  • 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

(2S,3E)-4-[(1S,5S,8S)-8-Hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl]-3-buten-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2S,3E)-4-[(1S,5S,8S)-8-Hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl]-3-buten-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Oxabicyclo[3.2.1]octan-3-one, 8-[(1E,3S)-3-(β-D-glucopyranosyloxy)-1-buten-1-yl]-8-hydroxy-1,5-dimethyl-, (1S,5S,8S)- [ACD/Index Name]
β-D-Glucopyranoside de (2S,3E)-4-[(1S,5S,8S)-8-hydroxy-1,5-diméthyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl]-3-butén-2-yle [French] [ACD/IUPAC Name]
Spionoside B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 630.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.8±6.0 kJ/mol
Flash Point: 221.2±25.0 °C
Index of Refraction: 1.594
Molar Refractivity: 96.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.62
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.81
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.81
Polar Surface Area: 146 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 285.1±5.0 cm3

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