ChemSpider 2D Image | Piperaduncin B | C29H30O8

Piperaduncin B

  • Molecular FormulaC29H30O8
  • Average mass506.544 Da
  • Monoisotopic mass506.194061 Da
  • ChemSpider ID390893

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

155023-55-5 [RN]
4-Hydroxy-3-[(2S,3S)-6-hydroxy-2-(2-hydroxy-2-propanyl)-4-méthoxy-7-(3-phénylpropanoyl)-2,3-dihydro-1-benzofuran-3-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(2R,3R)-2,3-dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-7-(1-oxo-3-phenylpropyl)-3-benzofuranyl]-4-hydroxy-, methyl ester, rel-(-)-
Benzoic acid, 3-[(2S,3S)-2,3-dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-7-(1-oxo-3-phenylpropyl)-3-benzofuranyl]-4-hydroxy-, methyl ester [ACD/Index Name]
Methyl 4-hydroxy-3-[(2S,3S)-6-hydroxy-2-(2-hydroxy-2-propanyl)-4-methoxy-7-(3-phenylpropanoyl)-2,3-dihydro-1-benzofuran-3-yl]benzoate [ACD/IUPAC Name]
Methyl-4-hydroxy-3-[(2S,3S)-6-hydroxy-2-(2-hydroxy-2-propanyl)-4-methoxy-7-(3-phenylpropanoyl)-2,3-dihydro-1-benzofuran-3-yl]benzoat [German] [ACD/IUPAC Name]
Piperaduncin B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL486612/
methyl 4-hydroxy-3-[(2S,3S)-6-hydroxy-2-(2-hydroxypropan-2-yl)-4-methoxy-7-(3-phenylpropanoyl)-2,3-dihydro-1-benzofuran-3-yl]benzoate
METHYL 4-HYDROXY-3-[(2S,3S)-6-HYDROXY-2-(2-HYDROXYPROPAN-2-YL)-4-METHOXY-7-(3-PHENYLPROPANOYL)-2,3-DIHYDROBENZOFURAN-3-YL]BENZOATE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C09829 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 667.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 218.4±25.0 °C
Index of Refraction: 1.619
Molar Refractivity: 136.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3341.55
ACD/KOC (pH 5.5): 11530.35
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1271.11
ACD/KOC (pH 7.4): 4386.09
Polar Surface Area: 123 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 388.5±3.0 cm3

Click to predict properties on the Chemicalize site


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