ChemSpider 2D Image | [(1R,2R,3S)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl 6-deoxy-alpha-L-mannopyranoside | C28H38O12

[(1R,2R,3S)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC28H38O12
  • Average mass566.594 Da
  • Monoisotopic mass566.236328 Da
  • ChemSpider ID35516801

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(1R,2R,3S)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
[(1R,2R,3S)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-2-naphthalinyl]methyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de [(1R,2R,3S)-7-hydroxy-1-(4-hydroxy-3,5-diméthoxyphényl)-3-(hydroxyméthyl)-6,8-diméthoxy-1,2,3,4-tétrahydro-2-naphtalényl]méthyle [French] [ACD/IUPAC Name]
α-L-Mannopyranoside, [(1R,2R,3S)-1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-2-naphthalenyl]methyl 6-deoxy- [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: 755.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 410.9±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 140.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 49.48
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 49.30
Polar Surface Area: 177 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 394.2±5.0 cm3

Click to predict properties on the Chemicalize site


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