Found 18 results

Search term: MF = 'C_{28}H_{38}O_{14}'
ChemSpider 2D Image | Ligraminol B | C28H38O14

Ligraminol B

  • Molecular FormulaC28H38O14
  • Average mass598.593 Da
  • Monoisotopic mass598.226135 Da
  • ChemSpider ID28490315

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(2R,3S,4S,5R)-2,5-Bis(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methyl β-D-glucopyranoside [ACD/IUPAC Name]
[(2R,3S,4S,5R)-2,5-Bis(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ligraminol B
β-D-Glucopyranoside de [(2R,3S,4S,5R)-2,5-bis(4-hydroxy-3,5-diméthoxyphényl)-4-(hydroxyméthyl)tétrahydro-3-furanyl]méthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, [(2R,3S,4S,5R)-tetrahydro-2,5-bis(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)-3-furanyl]methyl [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R)-2,5-bis(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 820.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 450.1±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.28
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.64
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.61
Polar Surface Area: 206 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 80.1±5.0 dyne/cm
Molar Volume: 398.4±5.0 cm3

Click to predict properties on the Chemicalize site


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