ChemSpider 2D Image | Methyl (2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carboxylate | C19H20O7

Methyl (2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carboxylate

  • Molecular FormulaC19H20O7
  • Average mass360.358 Da
  • Monoisotopic mass360.120911 Da
  • ChemSpider ID33823588

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-(4-Hydroxy-3-méthoxyphényl)-3-(hydroxyméthyl)-7-méthoxy-2,3-dihydro-1-benzofurane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Benzofurancarboxylic acid, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-, methyl ester, (2S,3R)- [ACD/Index Name]
Methyl (2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carboxylate [ACD/IUPAC Name]
Methyl-(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carboxylat [German] [ACD/IUPAC Name]
(2S,?3R)?-2,?3-?dihydro-?2-?(4-?hydroxy-?3-?methoxyphenyl)?-?3-?(hydroxymethyl)?-?7-?methoxy-?5-?Benzofurancarboxylic acid, methyl ester
[220736-54-9] [RN]
220736-54-9 [RN]
Curlignan
MFCD28100613

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

Density: 1.3±0.1 g/cm3
Boiling Point: 519.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 184.6±23.6 °C
Index of Refraction: 1.588
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.09
ACD/KOC (pH 5.5): 435.14
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.94
ACD/KOC (pH 7.4): 433.27
Polar Surface Area: 94 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 276.6±3.0 cm3

Click to predict properties on the Chemicalize site


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