ChemSpider 2D Image | 2-[(1E)-3-(4-Chlorophenyl)-3-oxo-1-propen-1-yl]phenyl 2-acetamido-4,6-O-benzylidene-2-deoxyhexopyranoside | C30H28ClNO7

2-[(1E)-3-(4-Chlorophenyl)-3-oxo-1-propen-1-yl]phenyl 2-acetamido-4,6-O-benzylidene-2-deoxyhexopyranoside

  • Molecular FormulaC30H28ClNO7
  • Average mass549.999 Da
  • Monoisotopic mass549.155457 Da
  • ChemSpider ID11993235

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(1E)-3-(4-Chlorophenyl)-3-oxo-1-propen-1-yl]phenyl 2-acetamido-4,6-O-benzylidene-2-deoxyhexopyranoside [ACD/IUPAC Name]
2-[(1E)-3-(4-Chlorophenyl)-3-oxoprop-1-en-1-yl]phenyl 2-acetamido-4,6-O-benzylidene-2-deoxyhexopyranoside
2-[(1E)-3-(4-Chlorphenyl)-3-oxo-1-propen-1-yl]phenyl-2-acetamido-4,6-O-benzyliden-2-desoxyhexopyranosid [German] [ACD/IUPAC Name]
2-Acétamido-4,6-O-benzylidène-2-désoxyhexopyranoside de 2-[(1E)-3-(4-chlorophényl)-3-oxo-1-propén-1-yl]phényle [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[2-[[2-(acetylamino)-2-deoxy-4,6-O-(phenylmethylene)hexopyranosyl]oxy]phenyl]-1-(4-chlorophenyl)-, (2E)- [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: 807.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 442.3±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1763.23
ACD/KOC (pH 5.5): 7333.40
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1763.22
ACD/KOC (pH 7.4): 7333.37
Polar Surface Area: 103 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 396.8±5.0 cm3

Click to predict properties on the Chemicalize site


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