ChemSpider 2D Image | 4-(2-Acetyl-3-oxo-1-buten-1-yl)phenyl 2,3,4,6-tetra-O-acetylhexopyranoside | C26H30O12

4-(2-Acetyl-3-oxo-1-buten-1-yl)phenyl 2,3,4,6-tetra-O-acetylhexopyranoside

  • Molecular FormulaC26H30O12
  • Average mass534.509 Da
  • Monoisotopic mass534.173706 Da
  • ChemSpider ID298427

More details:

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

2,3,4,6-Tétra-O-acétylhexopyranoside de 4-(2-acétyl-3-oxo-1-butén-1-yl)phényle [French] [ACD/IUPAC Name]
2,4-Pentanedione, 3-[[4-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]phenyl]methylene]- [ACD/Index Name]
4-(2-Acetyl-3-oxo-1-buten-1-yl)phenyl 2,3,4,6-tetra-O-acetylhexopyranoside [ACD/IUPAC Name]
4-(2-Acetyl-3-oxo-1-buten-1-yl)phenyl-2,3,4,6-tetra-O-acetylhexopyranosid [German] [ACD/IUPAC Name]

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

NSC351755 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 655.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 276.6±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 128.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.47
ACD/KOC (pH 5.5): 401.58
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.47
ACD/KOC (pH 7.4): 401.58
Polar Surface Area: 158 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 410.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement