ChemSpider 2D Image | 4-(Hydroxymethyl)phenyl 2-O-[(2S,3S,4S)-3,4-dihydroxy-4-{[(3-pyridinylcarbonyl)oxy]methyl}tetrahydro-2-furanyl]-beta-L-idopyranoside | C24H29NO12

4-(Hydroxymethyl)phenyl 2-O-[(2S,3S,4S)-3,4-dihydroxy-4-{[(3-pyridinylcarbonyl)oxy]methyl}tetrahydro-2-furanyl]-β-L-idopyranoside

  • Molecular FormulaC24H29NO12
  • Average mass523.487 Da
  • Monoisotopic mass523.168945 Da
  • ChemSpider ID13082693

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-O-[(2S,3S,4S)-3,4-Dihydroxy-4-{[(3-pyridinylcarbonyl)oxy]méthyl}tétrahydro-2-furanyl]-β-L-idopyranoside de 4-(hydroxyméthyl)phényle [French] [ACD/IUPAC Name]
4-(Hydroxymethyl)phenyl 2-O-[(2S,3S,4S)-3,4-dihydroxy-4-{[(3-pyridinylcarbonyl)oxy]methyl}tetrahydro-2-furanyl]-β-L-idopyranoside [ACD/IUPAC Name]
4-(Hydroxymethyl)phenyl-2-O-[(2S,3S,4S)-3,4-dihydroxy-4-{[(3-pyridinylcarbonyl)oxy]methyl}tetrahydro-2-furanyl]-β-L-idopyranosid [German] [ACD/IUPAC Name]
β-L-Idopyranoside, 4-(hydroxymethyl)phenyl 2-O-[(2S,3S,4S)-tetrahydro-3,4-dihydroxy-4-[[(3-pyridinylcarbonyl)oxy]methyl]-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: 803.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 439.8±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 123.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.13
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.21
Polar Surface Area: 197 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 90.2±5.0 dyne/cm
Molar Volume: 332.3±5.0 cm3

Click to predict properties on the Chemicalize site


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