ChemSpider 2D Image | (1R,5S,8S,10S,11S,13R)-8-(3-Furyl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.0~2,11~.0~5,10~]hexadec-2-en-3-yl beta-D-glucopyranoside | C25H30O11

(1R,5S,8S,10S,11S,13R)-8-(3-Furyl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadec-2-en-3-yl β-D-glucopyranoside

  • Molecular FormulaC25H30O11
  • Average mass506.499 Da
  • Monoisotopic mass506.178802 Da
  • ChemSpider ID158164

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,5S,8S,10S,11S,13R)-8-(3-Furyl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadec-2-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1R,5S,8S,10S,11S,13R)-8-(3-Furyl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadec-2-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
66756-59-0 [RN]
7,10-Methano-2H-pyrano[4,3-g][3]benzoxepin-4,8(1H,7H)-dione, 2-(3-furanyl)-6-(β-D-glucopyranosyloxy)-4a,5,10,11,11a,11b-hexahydro-11b-methyl-, (2S,4aS,7R,10R,11aS,11bS)- [ACD/Index Name]
β-D-Glucopyranoside de (1R,5S,8S,10S,11S,13R)-8-(3-furyl)-10-méthyl-6,15-dioxo-7,14-dioxatétracyclo[11.2.1.02,11.05,10]hexadéc-2-én-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 825.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 453.3±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.16
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.71
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.71
Polar Surface Area: 165 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 327.6±5.0 cm3

Click to predict properties on the Chemicalize site


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