ChemSpider 2D Image | 4-Hydroxy-5-methyl-2-(3,7,11-trimethyl-9-oxo-2,6-dodecadien-1-yl)phenyl 3,4,6-tri-O-acetylhexopyranoside | C34H48O11

4-Hydroxy-5-methyl-2-(3,7,11-trimethyl-9-oxo-2,6-dodecadien-1-yl)phenyl 3,4,6-tri-O-acetylhexopyranoside

  • Molecular FormulaC34H48O11
  • Average mass632.738 Da
  • Monoisotopic mass632.319641 Da
  • ChemSpider ID354908

More details:

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

3,4,6-Tri-O-acétylhexopyranoside de 4-hydroxy-5-méthyl-2-(3,7,11-triméthyl-9-oxo-2,6-dodécadién-1-yl)phényle [French] [ACD/IUPAC Name]
4-Hydroxy-5-methyl-2-(3,7,11-trimethyl-9-oxo-2,6-dodecadien-1-yl)phenyl 3,4,6-tri-O-acetylhexopyranoside [ACD/IUPAC Name]
4-Hydroxy-5-methyl-2-(3,7,11-trimethyl-9-oxo-2,6-dodecadien-1-yl)phenyl-3,4,6-tri-O-acetylhexopyranosid [German] [ACD/IUPAC Name]
6,10-Dodecadien-4-one, 12-[5-hydroxy-4-methyl-2-[(3,4,6-tri-O-acetylhexopyranosyl)oxy]phenyl]-2,6,10-trimethyl- [ACD/Index Name]

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

NCI60_039302 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 739.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 224.5±26.4 °C
Index of Refraction: 1.542
Molar Refractivity: 165.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4744.60
ACD/KOC (pH 5.5): 14894.13
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4740.82
ACD/KOC (pH 7.4): 14882.28
Polar Surface Area: 155 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 526.7±5.0 cm3

Click to predict properties on the Chemicalize site


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