ChemSpider 2D Image | 3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-4H-chromen-7-yl 2,3,4,6-tetra-O-acetylhexopyranoside | C32H32O14

3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-4H-chromen-7-yl 2,3,4,6-tetra-O-acetylhexopyranoside

  • Molecular FormulaC32H32O14
  • Average mass640.588 Da
  • Monoisotopic mass640.179199 Da
  • ChemSpider ID2969275

More details:

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

2,3,4,6-Tétra-O-acétylhexopyranoside de 3-(3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-4H-chromen-7-yl 2,3,4,6-tetra-O-acetylhexopyranoside [ACD/IUPAC Name]
3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-4H-chromen-7-yl-2,3,4,6-tetra-O-acetylhexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]- [ACD/Index Name]
2-(3-(2H,3H,4H-benzo[b]1,4-dioxepin-7-yl)-4-oxochromen-7-yloxy)-3,5-diacetyloxy-6-(acetyloxymethyl)-2H-3,4,5,6-tetrahydropyran-4-yl acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 724.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 300.1±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 153.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 494.27
ACD/KOC (pH 5.5): 2950.82
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 494.27
ACD/KOC (pH 7.4): 2950.82
Polar Surface Area: 168 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 450.6±5.0 cm3

Click to predict properties on the Chemicalize site


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