ChemSpider 2D Image | N-Benzyl-3-methoxy-4-[(2,3,4,6-tetra-O-acetyl-beta-D-talopyranosyl)oxy]benzamide | C29H33NO12

N-Benzyl-3-methoxy-4-[(2,3,4,6-tetra-O-acetyl-β-D-talopyranosyl)oxy]benzamide

  • Molecular FormulaC29H33NO12
  • Average mass587.572 Da
  • Monoisotopic mass587.200256 Da
  • ChemSpider ID7817528

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Benzamide, 3-methoxy-N-(phenylmethyl)-4-[(2,3,4,6-tetra-O-acetyl-β-D-talopyranosyl)oxy]- [ACD/Index Name]
N-Benzyl-3-methoxy-4-[(2,3,4,6-tetra-O-acetyl-β-D-talopyranosyl)oxy]benzamid [German] [ACD/IUPAC Name]
N-Benzyl-3-methoxy-4-[(2,3,4,6-tetra-O-acetyl-β-D-talopyranosyl)oxy]benzamide [ACD/IUPAC Name]
N-Benzyl-3-méthoxy-4-[(2,3,4,6-tétra-O-acétyl-β-D-talopyranosyl)oxy]benzamide [French] [ACD/IUPAC Name]

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

ZINC08431874 [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: 671.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.6±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 144.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.95
ACD/KOC (pH 5.5): 1032.30
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.95
ACD/KOC (pH 7.4): 1032.30
Polar Surface Area: 162 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 443.4±5.0 cm3

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