Found 37 results

Search term: MF = 'C_{36}H_{34}N_{2}O_{8}'
ChemSpider 2D Image | 4-{[(5S,5aS,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}-N-(2-phenylethyl)benzamide | C36H34N2O8

4-{[(5S,5aS,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}-N-(2-phenylethyl)benzamide

  • Molecular FormulaC36H34N2O8
  • Average mass622.664 Da
  • Monoisotopic mass622.231506 Da
  • ChemSpider ID8614305

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-{[(5S,5aS,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}-N-(2-phenylethyl)benzamid [German] [ACD/IUPAC Name]
4-{[(5S,5aS,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}-N-(2-phenylethyl)benzamide [ACD/IUPAC Name]
4-{[(5S,5aS,8aR,9R)-9-(4-Hydroxy-3,5-diméthoxyphényl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-5-yl]amino}-N-(2-phényléthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[(5S,5aS,8aR,9R)-5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-5-yl]amino]-N-(2-phenylethyl)- [ACD/Index Name]
4-[(5S,5aS,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxy-phenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-furo[3'',4'':6,7]naphtho[2,3-d][1,3]dioxol-5-ylamino]-N-phenethyl-benzamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL363748/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 857.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.8±3.0 kJ/mol
Flash Point: 472.2±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 169.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 801.32
ACD/KOC (pH 5.5): 4169.71
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 799.34
ACD/KOC (pH 7.4): 4159.42
Polar Surface Area: 125 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 462.3±3.0 cm3

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