ChemSpider 2D Image | 4-[(2R,3S,4S,5R)-5-(4-Hydroxy-3-methoxyphenyl)-3,4-bis(hydroxymethyl)tetrahydro-2-furanyl]-2-methoxyphenyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside | C31H42O16

4-[(2R,3S,4S,5R)-5-(4-Hydroxy-3-methoxyphenyl)-3,4-bis(hydroxymethyl)tetrahydro-2-furanyl]-2-methoxyphenyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC31H42O16
  • Average mass670.656 Da
  • Monoisotopic mass670.247314 Da
  • ChemSpider ID9942238

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

2-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 4-[(2R,3S,4S,5R)-5-(4-hydroxy-3-méthoxyphényl)-3,4-bis(hydroxyméthyl)tétrahydro-2-furanyl]-2-méthoxyphény le [French] [ACD/IUPAC Name]
4-[(2R,3S,4S,5R)-5-(4-Hydroxy-3-methoxyphenyl)-3,4-bis(hydroxymethyl)tetrahydro-2-furanyl]-2-methoxyphenyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
4-[(2R,3S,4S,5R)-5-(4-Hydroxy-3-methoxyphenyl)-3,4-bis(hydroxymethyl)tetrahydro-2-furanyl]-2-methoxyphenyl-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-methoxy-4-[(2R,3S,4S,5R)-tetrahydro-5-(4-hydroxy-3-methoxyphenyl)-3,4-bis(hydroxymethyl)-2-furanyl]phenyl 2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl ]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 943.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.8±3.0 kJ/mol
Flash Point: 524.2±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 159.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.15
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.60
ACD/LogD (pH 7.4): -1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.58
Polar Surface Area: 247 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 91.3±5.0 dyne/cm
Molar Volume: 424.6±5.0 cm3

Click to predict properties on the Chemicalize site


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