ChemSpider 2D Image | (1S,2S,3S,5R,11R,12S,13S,15S)-5-(3-Furyl)-3,11-dimethyl-7,17-dioxo-6,14,16-trioxapentacyclo[10.3.2.0~2,11~.0~3,8~.0~13,15~]heptadec-8-en-12-yl beta-D-glucopyranoside | C26H30O12

(1S,2S,3S,5R,11R,12S,13S,15S)-5-(3-Furyl)-3,11-dimethyl-7,17-dioxo-6,14,16-trioxapentacyclo[10.3.2.02,11.03,8.013,15]heptadec-8-en-12-yl β-D-glucopyranoside

  • Molecular FormulaC26H30O12
  • Average mass534.509 Da
  • Monoisotopic mass534.173706 Da
  • ChemSpider ID23311577

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1S,2S,3S,5R,11R,12S,13S,15S)-5-(3-Furyl)-3,11-dimethyl-7,17-dioxo-6,14,16-trioxapentacyclo[10.3.2.02,11.03,8.013,15]heptadec-8-en-12-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,2S,3S,5R,11R,12S,13S,15S)-5-(3-Furyl)-3,11-dimethyl-7,17-dioxo-6,14,16-trioxapentacyclo[10.3.2.02,11.03,8.013,15]heptadec-8-en-12-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2R,6aR,7S,7aS,8aS,9S,9aS,9bS)-2-(furan-3-yl)-6a,9b-dimethyl-4,11-dioxo-1,6,6a,7a,8a,9,9a,9b-octahydro-2H-9,7-(epoxymethano)[1]benzoxireno[3,4-f]isochromen-7(4H)-yl β-D-glucopyranoside
9,7-(Epoxymethano)-4H-oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione, 2-(3-furanyl)-7-(β-D-glucopyranosyloxy)-1,2,6,6a,7,7a,8a,9,9a,9b-decahydro-6a,9b-dimethyl-, (2R,6aR,7S,7aS,8aS,9S,9aS,9bS)- [ACD/Index Name]
β-D-Glucopyranoside de (1S,2S,3S,5R,11R,12S,13S,15S)-5-(3-furyl)-3,11-diméthyl-7,17-dioxo-6,14,16-trioxapentacyclo[10.3.2.02,11.03,8.013,15]heptadéc-8-én-12-yle [French] [ACD/IUPAC Name]
CHEMBL399731
fibraurinoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL399731/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 823.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 451.5±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 123.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.13
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.13
Polar Surface Area: 178 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 81.2±5.0 dyne/cm
Molar Volume: 331.8±5.0 cm3

Click to predict properties on the Chemicalize site


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