ChemSpider 2D Image | 4-{[(3S,4R)-4-(4-Hydroxy-3-methoxybenzyl)-2-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl 6-O-beta-D-mannopyranosyl-beta-D-mannopyranoside | C32H42O16

4-{[(3S,4R)-4-(4-Hydroxy-3-methoxybenzyl)-2-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl 6-O-β-D-mannopyranosyl-β-D-mannopyranoside

  • Molecular FormulaC32H42O16
  • Average mass682.666 Da
  • Monoisotopic mass682.247314 Da
  • ChemSpider ID114642510

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

2(3H)-Furanone, dihydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[[4-[(6-O-β-D-mannopyranosyl-β-D-mannopyranosyl)oxy]-3-methoxyphenyl]methyl]-, (3S,4R)- [ACD/Index Name]
4-{[(3S,4R)-4-(4-Hydroxy-3-methoxybenzyl)-2-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl 6-O-β-D-mannopyranosyl-β-D-mannopyranoside [ACD/IUPAC Name]
4-{[(3S,4R)-4-(4-Hydroxy-3-methoxybenzyl)-2-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl-6-O-β-D-mannopyranosyl-β-D-mannopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Mannopyranosyl-β-D-mannopyranoside de 4-{[(3S,4R)-4-(4-hydroxy-3-méthoxybenzyl)-2-oxotétrahydro-3-furanyl]méthyl}-2-méthoxyphényle [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: 950.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.0±3.0 kJ/mol
Flash Point: 301.6±27.8 °C
Index of Refraction: 1.658
Molar Refractivity: 162.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.32
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.05
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.04
Polar Surface Area: 244 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 86.4±5.0 dyne/cm
Molar Volume: 440.4±5.0 cm3

Click to predict properties on the Chemicalize site


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