ChemSpider 2D Image | Trachelosiaside | C26H32O11

Trachelosiaside

  • Molecular FormulaC26H32O11
  • Average mass520.526 Da
  • Monoisotopic mass520.194458 Da
  • ChemSpider ID10270392

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-(2-hydroxy-5-{[(3R,4R)-4-(4-hydroxy-3-methoxybenzyl)-2-oxotetrahydro-3-furanyl]methyl}-3-methoxyphenyl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(2-hydroxy-5-{[(3R,4R)-4-(4-hydroxy-3-methoxybenzyl)-2-oxotetrahydro-3-furanyl]methyl}-3-methoxyphenyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(2-hydroxy-5-{[(3R,4R)-4-(4-hydroxy-3-méthoxybenzyl)-2-oxotétrahydro-3-furanyl]méthyl}-3-méthoxyphényl)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[2-hydroxy-3-methoxy-5-[[(3R,4R)-tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxo-3-furanyl]methyl]phenyl]-, (1S)- [ACD/Index Name]
Trachelosiaside
2(3H)-FURANONE, 3-[(3-B-D-GLUCOPYRANOSYL-4-HYDROXY-5-METHOXYPHENYL)METHYL]DIHYDRO-4-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-,(3R,4R)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 762.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 254.8±26.4 °C
Index of Refraction: 1.640
Molar Refractivity: 129.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 46.82
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 46.49
Polar Surface Area: 175 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 359.5±3.0 cm3

Click to predict properties on the Chemicalize site


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