ChemSpider 2D Image | 3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxyhexopyranoside | C33H35NO13

3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxyhexopyranoside

  • Molecular FormulaC33H35NO13
  • Average mass653.630 Da
  • Monoisotopic mass653.210815 Da
  • ChemSpider ID3025326

More details:

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

2-Acétamido-3,4,6-tri-O-acétyl-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-3,4,6-tri-O-acetyl-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-3,4,6-tri-O-acetyl-2-desoxyhexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-7-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxyhexopyranosyl]oxy]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 808.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 442.7±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 206.24
ACD/KOC (pH 5.5): 1578.47
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 206.24
ACD/KOC (pH 7.4): 1578.47
Polar Surface Area: 171 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 467.9±5.0 cm3

Click to predict properties on the Chemicalize site


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