ChemSpider 2D Image | (1R,2S,3S,5R,11R,12R)-5-(3-Furyl)-3,11-dimethyl-7,13-dioxo-6,14-dioxatetracyclo[10.2.2.0~2,11~.0~3,8~]hexadeca-8,15-dien-12-yl beta-D-glucopyranoside | C26H30O11

(1R,2S,3S,5R,11R,12R)-5-(3-Furyl)-3,11-dimethyl-7,13-dioxo-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadeca-8,15-dien-12-yl β-D-glucopyranoside

  • Molecular FormulaC26H30O11
  • Average mass518.510 Da
  • Monoisotopic mass518.178833 Da
  • ChemSpider ID23311578

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2S,3S,5R,11R,12R)-5-(3-Furyl)-3,11-dimethyl-7,13-dioxo-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadeca-8,15-dien-12-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1R,2S,3S,5R,11R,12R)-5-(3-Furyl)-3,11-dimethyl-7,13-dioxo-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadeca-8,15-dien-12-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2R,6aR,7R,10R,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-4,12-dioxo-1,6,6a,10,10a,10b-hexahydro-2H-10,7-(epoxymethano)benzo[f]isochromen-7(4H)-yl β-D-glucopyranoside
1,4-Etheno-3H,7H-benzo[1,2-c:3,4-c']dipyran-3,7-dione, 9-(3-furanyl)-4-(β-D-glucopyranosyloxy)-1,4,4a,5,9,10,10a,10b-octahydro-4a,10a-dimethyl-, (1R,4R,4aR,9R,10aS,10bS)- [ACD/Index Name]
β-D-Glucopyranoside de (1R,2S,3S,5R,11R,12R)-5-(3-furyl)-3,11-diméthyl-7,13-dioxo-6,14-dioxatétracyclo[10.2.2.02,11.03,8]hexadéca-8,15-dién-12-yle [French] [ACD/IUPAC Name]
102926-02-3 [RN]
CHEMBL399973
fibleucinoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL399973/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 798.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 436.5±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 123.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.95
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.95
Polar Surface Area: 165 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 76.8±5.0 dyne/cm
Molar Volume: 336.7±5.0 cm3

Click to predict properties on the Chemicalize site


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