ChemSpider 2D Image | 3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 2-acetamido-2-deoxyhexopyranoside | C27H29NO10

3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 2-acetamido-2-deoxyhexopyranoside

  • Molecular FormulaC27H29NO10
  • Average mass527.520 Da
  • Monoisotopic mass527.179138 Da
  • ChemSpider ID3035898

More details:

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

2-Acétamido-2-désoxyhexopyranoside de 3-(3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-2-méthyl-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 2-acetamido-2-deoxyhexopyranoside [ACD/IUPAC Name]
3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl-2-acetamido-2-desoxyhexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[2-(acetylamino)-2-deoxyhexopyranosyl]oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 824.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 452.2±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 131.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.26
ACD/KOC (pH 5.5): 129.30
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.26
ACD/KOC (pH 7.4): 129.30
Polar Surface Area: 153 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 355.3±5.0 cm3

Click to predict properties on the Chemicalize site


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