Found 1 result

Search term: 103885106 (Found by CSID)
ChemSpider 2D Image | (1S,9S,12R)-11-Acetyl-3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-8,10-dioxatricyclo[7.2.1.0~2,7~]dodeca-2,4,6-trien-12-yl beta-D-glucopyranoside | C26H30O13

(1S,9S,12R)-11-Acetyl-3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl β-D-glucopyranoside

  • Molecular FormulaC26H30O13
  • Average mass550.509 Da
  • Monoisotopic mass550.168640 Da
  • ChemSpider ID103885106

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(1S,9S,12R)-11-Acetyl-3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,9S,12R)-11-Acetyl-3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
183607-09-2 [RN]
Ethanone, 1-[(2S,5S,10R)-10-(β-D-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl]- [ACD/Index Name]
rel-1-[(2R,5R,10S)-10-(β-D-Glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl]ethanone
β-D-Glucopyranoside de (1S,9S,12R)-11-acétyl-3,5-dihydroxy-9-(4-hydroxy-3-méthoxyphényl)-11-méthyl-8,10-dioxatricyclo[7.2.1.02,7]dodéca-2,4,6-trién-12-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 829.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 278.5±27.8 °C
Index of Refraction: 1.707
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.75
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.33
Polar Surface Area: 205 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 97.7±5.0 dyne/cm
Molar Volume: 332.5±5.0 cm3

Click to predict properties on the Chemicalize site


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