ChemSpider 2D Image | (3S,4S)-3,4-Bis(4-hydroxy-3-methoxybenzyl)-2-oxotetrahydro-3-furanyl D-glucopyranoside | C26H32O12

(3S,4S)-3,4-Bis(4-hydroxy-3-methoxybenzyl)-2-oxotetrahydro-3-furanyl D-glucopyranoside

  • Molecular FormulaC26H32O12
  • Average mass536.525 Da
  • Monoisotopic mass536.189392 Da
  • ChemSpider ID81422645

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3S,4S)-3,4-Bis(4-hydroxy-3-methoxybenzyl)-2-oxotetrahydro-3-furanyl D-glucopyranoside [ACD/IUPAC Name]
(3S,4S)-3,4-Bis(4-hydroxy-3-methoxybenzyl)-2-oxotetrahydro-3-furanyl-D-glucopyranosid [German] [ACD/IUPAC Name]
2(3H)-Furanone, 3-(D-glucopyranosyloxy)dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3S,4S)- [ACD/Index Name]
D-Glucopyranoside de (3S,4S)-3,4-bis(4-hydroxy-3-méthoxybenzyl)-2-oxotétrahydro-3-furanyle [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: 814.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 272.2±27.8 °C
Index of Refraction: 1.657
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.38
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.35
Polar Surface Area: 185 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 82.5±5.0 dyne/cm
Molar Volume: 353.5±5.0 cm3

Click to predict properties on the Chemicalize site


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