ChemSpider 2D Image | N-(3,4-Dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]benzamide | C32H37NO13

N-(3,4-Dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]benzamide

  • Molecular FormulaC32H37NO13
  • Average mass643.635 Da
  • Monoisotopic mass643.226501 Da
  • ChemSpider ID2871987

More details:

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

Benzamide, N-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-3-methoxy-4-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]- [ACD/Index Name]
N-(3,4-Dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]benzamid [German] [ACD/IUPAC Name]
N-(3,4-Dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]benzamide [ACD/IUPAC Name]
N-(3,4-Dihydro-1H-isochromén-1-ylméthyl)-3-méthoxy-4-[(2,3,4,6-tétra-O-acétylhexopyranosyl)oxy]benzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 723.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.3±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 158.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 150.69
ACD/KOC (pH 5.5): 1260.91
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.69
ACD/KOC (pH 7.4): 1260.91
Polar Surface Area: 171 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 478.7±5.0 cm3

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