ChemSpider 2D Image | 4-[(2R,3S)-3-(Hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenyl 6-deoxy-3-O-methyl-alpha-L-mannopyranoside | C27H36O10

4-[(2R,3S)-3-(Hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenyl 6-deoxy-3-O-methyl-α-L-mannopyranoside

  • Molecular FormulaC27H36O10
  • Average mass520.569 Da
  • Monoisotopic mass520.230835 Da
  • ChemSpider ID31144869

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

4-[(2R,3S)-3-(Hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenyl 6-deoxy-3-O-methyl-α-L-mannopyranoside [ACD/IUPAC Name]
4-[(2R,3S)-3-(Hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenyl-6-desoxy-3-O-methyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-3-O-méthyl-α-L-mannopyranoside de 4-[(2R,3S)-3-(hydroxyméthyl)-5-(3-hydroxypropyl)-7-méthoxy-2,3-dihydro-1-benzofuran-2-yl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
α-L-Mannopyranoside, 4-[(2R,3S)-2,3-dihydro-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2-benzofuranyl]-2-methoxyphenyl 6-deoxy-3-O-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 697.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 375.9±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.03
ACD/KOC (pH 5.5): 125.93
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.03
ACD/KOC (pH 7.4): 125.93
Polar Surface Area: 136 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 384.1±5.0 cm3

Click to predict properties on the Chemicalize site


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