ChemSpider 2D Image | N-{7-[(4-Deoxy-alpha-D-erythro-pentopyranosyl)oxy]-8-methoxy-2-oxo-2H-chromen-3-yl}-3',6-dimethoxy-3-biphenylcarboxamide | C30H29NO10

N-{7-[(4-Deoxy-α-D-erythro-pentopyranosyl)oxy]-8-methoxy-2-oxo-2H-chromen-3-yl}-3',6-dimethoxy-3-biphenylcarboxamide

  • Molecular FormulaC30H29NO10
  • Average mass563.552 Da
  • Monoisotopic mass563.179138 Da
  • ChemSpider ID26607192

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[1,1'-Biphenyl]-3-carboxamide, N-[7-[(4-deoxy-α-D-erythro-pentopyranosyl)oxy]-8-methoxy-2-oxo-2H-1-benzopyran-3-yl]-3',6-dimethoxy- [ACD/Index Name]
N-{7-[(4-Deoxy-α-D-erythro-pentopyranosyl)oxy]-8-methoxy-2-oxo-2H-chromen-3-yl}-3',6-dimethoxy-3-biphenylcarboxamide [ACD/IUPAC Name]
N-{7-[(4-Desoxy-α-D-erythro-pentopyranosyl)oxy]-8-methoxy-2-oxo-2H-chromen-3-yl}-3',6-dimethoxy-3-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-{7-[(4-Désoxy-α-D-érythro-pentopyranosyl)oxy]-8-méthoxy-2-oxo-2H-chromén-3-yl}-3',6-diméthoxy-3-biphénylcarboxamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1797191/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 843.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 464.1±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.13
ACD/KOC (pH 5.5): 287.25
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 12.85
ACD/KOC (pH 7.4): 193.03
Polar Surface Area: 142 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 390.8±5.0 cm3

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